smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC[C@]2(CCC[N@H+](CCc3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000019219591 202001470 /nfs/dbraw/zinc/00/14/70/202001470.db2.gz XVNUFHUPJFLQFY-FQEVSTJZSA-N 1 3 339.487 2.822 50 0 EFAAHO CN1CCC[C@]2(CCC[N@@H+](CCc3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000019219591 202001473 /nfs/dbraw/zinc/00/14/73/202001473.db2.gz XVNUFHUPJFLQFY-FQEVSTJZSA-N 1 3 339.487 2.822 50 0 EFAAHO O[C@]1(C[NH2+]CCc2ccccc2Oc2ccccc2)CCCNC1 ZINC000072432837 216226971 /nfs/dbraw/zinc/22/69/71/216226971.db2.gz AUMQATMZBXYENX-HXUWFJFHSA-N 1 3 326.440 2.726 50 0 EFAAHO C[N@@H+]1CCN2CCN(CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000216469677 241194690 /nfs/dbraw/zinc/19/46/90/241194690.db2.gz VJGQEVQPAUCVFP-NRFANRHFSA-N 1 3 335.495 2.750 50 0 EFAAHO C[N@H+]1CCN2CCN(CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000216469677 241194693 /nfs/dbraw/zinc/19/46/93/241194693.db2.gz VJGQEVQPAUCVFP-NRFANRHFSA-N 1 3 335.495 2.750 50 0 EFAAHO Cc1ccc(C)c([C@@H](C)NC(=O)CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000244774251 243079828 /nfs/dbraw/zinc/07/98/28/243079828.db2.gz PQOHWCKFMBXKQP-QGZVFWFLSA-N 1 3 329.488 2.556 50 0 EFAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000072151109 203173235 /nfs/dbraw/zinc/17/32/35/203173235.db2.gz PHDYNHDJJHRCCJ-IBGZPJMESA-N 1 3 345.531 2.839 50 0 EFAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000072151109 203173238 /nfs/dbraw/zinc/17/32/38/203173238.db2.gz PHDYNHDJJHRCCJ-IBGZPJMESA-N 1 3 345.531 2.839 50 0 EFAAHO CC(C)[C@H]1CN(C(=O)CC[NH+](C)C)CCCN1Cc1ccc(F)cc1 ZINC000072163119 203178060 /nfs/dbraw/zinc/17/80/60/203178060.db2.gz DTKRJDUIIAXGSV-LJQANCHMSA-N 1 3 349.494 2.836 50 0 EFAAHO CCCN1CC2(C[C@H]1C(=O)NCCc1cccs1)CC[NH+](C)CC2 ZINC000072468957 203229211 /nfs/dbraw/zinc/22/92/11/203229211.db2.gz CQQDUJNKCFRRKK-KRWDZBQOSA-N 1 3 349.544 2.603 50 0 EFAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1ccccc1C)CC[NH+](C)CC2 ZINC000072410852 203217305 /nfs/dbraw/zinc/21/73/05/203217305.db2.gz JWTHLSJMLPWOQB-LJQANCHMSA-N 1 3 343.515 2.808 50 0 EFAAHO [NH3+]CCc1cccc(CN2CCCN(Cc3cccs3)CC2)c1 ZINC000072411826 203217538 /nfs/dbraw/zinc/21/75/38/203217538.db2.gz NDYBOGCZSACVMF-UHFFFAOYSA-N 1 3 329.513 2.957 50 0 EFAAHO Cc1cc(N2CCN(C(=O)CN3CCCCCCC3)CC2)cc(C)[nH+]1 ZINC000077338259 203381415 /nfs/dbraw/zinc/38/14/15/203381415.db2.gz AYYATPXJNFUDMR-UHFFFAOYSA-N 1 3 344.503 2.613 50 0 EFAAHO O[C@]1(CN2CCCCC2)CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000077437248 203388219 /nfs/dbraw/zinc/38/82/19/203388219.db2.gz FFYFQPXZHLHJKQ-FQEVSTJZSA-N 1 3 325.456 2.658 50 0 EFAAHO O[C@]1(CN2CCCCC2)CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000077437248 203388222 /nfs/dbraw/zinc/38/82/22/203388222.db2.gz FFYFQPXZHLHJKQ-FQEVSTJZSA-N 1 3 325.456 2.658 50 0 EFAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(CCOCCO)CC2)C1 ZINC000091460879 218010010 /nfs/dbraw/zinc/01/00/10/218010010.db2.gz KMBLDGOUOSCRSG-HXUWFJFHSA-N 1 3 346.515 2.587 50 0 EFAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(CCOCCO)CC2)C1 ZINC000091460879 218010013 /nfs/dbraw/zinc/01/00/13/218010013.db2.gz KMBLDGOUOSCRSG-HXUWFJFHSA-N 1 3 346.515 2.587 50 0 EFAAHO CN1CCC(Cc2nc([C@H]3CC[NH2+]C3)n(CC3CCCCC3)n2)CC1 ZINC000096154027 473316003 /nfs/dbraw/zinc/31/60/03/473316003.db2.gz RDTVKFLZOOHVLZ-SFHVURJKSA-N 1 3 345.535 2.820 50 0 EFAAHO CN(C)CC(C)(C)C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000037301005 472010698 /nfs/dbraw/zinc/01/06/98/472010698.db2.gz MPEBJXQGXQNQKQ-UHFFFAOYSA-N 1 3 343.265 2.855 50 0 EFAAHO C[NH+]1CCC2(CC1)CCCN(Cc1cccn1-c1ncccn1)CC2 ZINC000067692164 472073198 /nfs/dbraw/zinc/07/31/98/472073198.db2.gz OAQZKLQLAFYVGU-UHFFFAOYSA-N 1 3 339.487 2.965 50 0 EFAAHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000044913393 472352712 /nfs/dbraw/zinc/35/27/12/472352712.db2.gz DHVVPWFXDPQDMZ-UHFFFAOYSA-N 1 3 329.488 2.501 50 0 EFAAHO CN(C)Cc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cc1 ZINC000097551219 472499793 /nfs/dbraw/zinc/49/97/93/472499793.db2.gz XOKPJEXNTSGBCD-UYAOXDASSA-N 1 3 341.499 2.695 50 0 EFAAHO CN(C)Cc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)cc1 ZINC000097551219 472499799 /nfs/dbraw/zinc/49/97/99/472499799.db2.gz XOKPJEXNTSGBCD-UYAOXDASSA-N 1 3 341.499 2.695 50 0 EFAAHO CCn1ccc2ccc(C[N@H+]3C[C@@H](CN(C)C)C[C@H](CO)C3)cc21 ZINC000091551766 472777272 /nfs/dbraw/zinc/77/72/72/472777272.db2.gz KMHLQCIMKCSERT-MSOLQXFVSA-N 1 3 329.488 2.653 50 0 EFAAHO CCn1ccc2ccc(C[N@@H+]3C[C@@H](CN(C)C)C[C@H](CO)C3)cc21 ZINC000091551766 472777277 /nfs/dbraw/zinc/77/72/77/472777277.db2.gz KMHLQCIMKCSERT-MSOLQXFVSA-N 1 3 329.488 2.653 50 0 EFAAHO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cccc(CC[NH3+])c1)C2 ZINC000091625328 472785301 /nfs/dbraw/zinc/78/53/01/472785301.db2.gz VSNZNTHIKDUYLT-VQTJNVASSA-N 1 3 341.499 2.577 50 0 EFAAHO COc1ccc2[nH]c(C[NH2+]C[C@]3(O)CCCN4CCCC[C@@H]43)cc2c1 ZINC000063856824 472821552 /nfs/dbraw/zinc/82/15/52/472821552.db2.gz FYWCBHMGPKMYKJ-WOJBJXKFSA-N 1 3 343.471 2.646 50 0 EFAAHO CCC[NH+]1CCC(N2CCC(Cn3cc(C4CC4)nn3)CC2)CC1 ZINC000048356927 472863673 /nfs/dbraw/zinc/86/36/73/472863673.db2.gz KNEAYRICXCFEIB-UHFFFAOYSA-N 1 3 331.508 2.742 50 0 EFAAHO COc1ccc(CN2CCC(CO)(C[NH+]3CCCC3)CC2)cc1C ZINC000223835963 474191901 /nfs/dbraw/zinc/19/19/01/474191901.db2.gz HYNFEWKQWQZURH-UHFFFAOYSA-N 1 3 332.488 2.674 50 0 EFAAHO c1cc(C[C@@H]2COC[C@H]2[NH2+]C2CCN(C3CCCC3)CC2)ccn1 ZINC001704299654 1417901425 /nfs/dbraw/zinc/90/14/25/1417901425.db2.gz QAURUOPMNXKLAT-YLJYHZDGSA-N 1 3 329.488 2.636 50 0 EFAAHO COc1ccccc1/C=C/CN1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067954318 215258192 /nfs/dbraw/zinc/25/81/92/215258192.db2.gz DBUNVNWVUKQMBO-RMKNXTFCSA-N 1 3 343.515 2.810 50 0 EFAAHO CC[NH+]1CCC(N[C@@H]2CC[C@@H]2NC(=O)CCCc2ccccc2)CC1 ZINC000072167900 216059043 /nfs/dbraw/zinc/05/90/43/216059043.db2.gz JGVHKQNKMAOQGI-UXHICEINSA-N 1 3 343.515 2.730 50 0 EFAAHO CCCN1CC2(C[C@H]1C(=O)NCc1ccc(F)cc1)CC[NH+](C)CC2 ZINC000072411489 216203556 /nfs/dbraw/zinc/20/35/56/216203556.db2.gz OHIZIQXYDNVRKV-SFHVURJKSA-N 1 3 347.478 2.638 50 0 EFAAHO CCCN1CC2(C[C@@H]1C(=O)NCCCc1ccco1)CC[NH+](C)CC2 ZINC000072474587 216251110 /nfs/dbraw/zinc/25/11/10/216251110.db2.gz VDGJCMGCTSDLKF-GOSISDBHSA-N 1 3 347.503 2.525 50 0 EFAAHO O=C1CC[C@H]2CN(Cc3cccs3)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072467867 216247275 /nfs/dbraw/zinc/24/72/75/216247275.db2.gz DYIGGCXISHAJAE-FUHWJXTLSA-N 1 3 347.528 2.561 50 0 EFAAHO OCC1(C[NH+]2CCCC2)CCN(Cc2cccc3cc[nH]c32)CC1 ZINC000222477582 241519188 /nfs/dbraw/zinc/51/91/88/241519188.db2.gz XBDUDUGWUOBHBZ-UHFFFAOYSA-N 1 3 327.472 2.838 50 0 EFAAHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)NCc2cccc(Cl)c2)CC1 ZINC000244659882 243052667 /nfs/dbraw/zinc/05/26/67/243052667.db2.gz HKKLJAHJVKUSHS-QGZVFWFLSA-N 1 3 337.895 2.762 50 0 EFAAHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)NCc2cccc(Cl)c2)CC1 ZINC000244659882 243052675 /nfs/dbraw/zinc/05/26/75/243052675.db2.gz HKKLJAHJVKUSHS-QGZVFWFLSA-N 1 3 337.895 2.762 50 0 EFAAHO CCN1CCC[C@@](C)(C[NH+]2CCC(N3CCSCC3)CC2)C1 ZINC000020774494 212169405 /nfs/dbraw/zinc/16/94/05/212169405.db2.gz UVPZAGKPHUWUBL-GOSISDBHSA-N 1 3 325.566 2.622 50 0 EFAAHO c1ccc(CN2CCC(N3CCC[C@H]([NH+]4CCCC4)C3)CC2)nc1 ZINC000019771314 212063333 /nfs/dbraw/zinc/06/33/33/212063333.db2.gz QSULKUWQBJYFRH-FQEVSTJZSA-N 1 3 328.504 2.606 50 0 EFAAHO c1ccc(CN2CCC([N@@H+]3CCC[C@H](N4CCCC4)C3)CC2)nc1 ZINC000019771314 212063335 /nfs/dbraw/zinc/06/33/35/212063335.db2.gz QSULKUWQBJYFRH-FQEVSTJZSA-N 1 3 328.504 2.606 50 0 EFAAHO c1ccc(CN2CCC([N@H+]3CCC[C@H](N4CCCC4)C3)CC2)nc1 ZINC000019771314 212063336 /nfs/dbraw/zinc/06/33/36/212063336.db2.gz QSULKUWQBJYFRH-FQEVSTJZSA-N 1 3 328.504 2.606 50 0 EFAAHO CN1CC[C@H](N2CC3(CCC2=O)CC[NH+](Cc2cccs2)CC3)C1 ZINC000091663647 218041783 /nfs/dbraw/zinc/04/17/83/218041783.db2.gz ANMYUNBYWOIKLD-INIZCTEOSA-N 1 3 347.528 2.657 50 0 EFAAHO CN(C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)C1CCN(C)CC1 ZINC000299791094 258096761 /nfs/dbraw/zinc/09/67/61/258096761.db2.gz CLCPFRBNQUQNTP-ZCNNSNEGSA-N 1 3 341.499 2.765 50 0 EFAAHO CN(C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12)C1CCN(C)CC1 ZINC000299791094 258096762 /nfs/dbraw/zinc/09/67/62/258096762.db2.gz CLCPFRBNQUQNTP-ZCNNSNEGSA-N 1 3 341.499 2.765 50 0 EFAAHO CN1CCC(CC(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000012593569 471784340 /nfs/dbraw/zinc/78/43/40/471784340.db2.gz IKZVAEHPADMQHH-IBGZPJMESA-N 1 3 335.536 2.879 50 0 EFAAHO CN1CCC(CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC000012593569 471784343 /nfs/dbraw/zinc/78/43/43/471784343.db2.gz IKZVAEHPADMQHH-IBGZPJMESA-N 1 3 335.536 2.879 50 0 EFAAHO O=C(NC1CC1)C1CC[NH+](C2CCN(C3CCCCC3)CC2)CC1 ZINC000012756339 471793897 /nfs/dbraw/zinc/79/38/97/471793897.db2.gz QUBXKDFFHSMKPK-UHFFFAOYSA-N 1 3 333.520 2.774 50 0 EFAAHO Cc1ccnc(N2CCN(C3CCC4(CC[NH2+]CC4)CC3)CC2)c1 ZINC000067856495 472098386 /nfs/dbraw/zinc/09/83/86/472098386.db2.gz UFEIZFAINOTQEF-UHFFFAOYSA-N 1 3 328.504 2.824 50 0 EFAAHO Cc1cc(N2CC[C@](O)(C[NH+]3CCCCC3)C2)c2ccccc2n1 ZINC000077440720 472527831 /nfs/dbraw/zinc/52/78/31/472527831.db2.gz RGQFIYRDTCDICX-FQEVSTJZSA-N 1 3 325.456 2.970 50 0 EFAAHO C[NH+](C)CCOc1ccccc1CN1CCN(CC2CCC2)CC1 ZINC000219935759 474151023 /nfs/dbraw/zinc/15/10/23/474151023.db2.gz FBDLYVRFJPPCAR-UHFFFAOYSA-N 1 3 331.504 2.545 50 0 EFAAHO C[C@@H]1CCC[N@H+](CCOc2ccccc2CN2CCCN(C)CC2)C1 ZINC000223298749 474182029 /nfs/dbraw/zinc/18/20/29/474182029.db2.gz FXXKTRXKNZKSAA-LJQANCHMSA-N 1 3 345.531 2.935 50 0 EFAAHO C[C@@H]1CCC[N@@H+](CCOc2ccccc2CN2CCCN(C)CC2)C1 ZINC000223298749 474182036 /nfs/dbraw/zinc/18/20/36/474182036.db2.gz FXXKTRXKNZKSAA-LJQANCHMSA-N 1 3 345.531 2.935 50 0 EFAAHO C[C@H]1CCC[N@H+](CCOc2ccccc2CN2CCCN(C)CC2)C1 ZINC000230562783 564051171 /nfs/dbraw/zinc/05/11/71/564051171.db2.gz FXXKTRXKNZKSAA-IBGZPJMESA-N 1 3 345.531 2.935 50 0 EFAAHO C[C@H]1CCC[N@@H+](CCOc2ccccc2CN2CCCN(C)CC2)C1 ZINC000230562783 564051172 /nfs/dbraw/zinc/05/11/72/564051172.db2.gz FXXKTRXKNZKSAA-IBGZPJMESA-N 1 3 345.531 2.935 50 0 EFAAHO CN(Cc1c[nH]cn1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012301932 1265832066 /nfs/dbraw/zinc/83/20/66/1265832066.db2.gz YAXOECSHXUDZQV-UHFFFAOYSA-N 1 3 330.451 2.935 50 0 EFAAHO Cc1ccc2c(NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)ccnc2c1C ZINC001506413765 1405757933 /nfs/dbraw/zinc/75/79/33/1405757933.db2.gz KMIGCNUPEOUZHI-MRXNPFEDSA-N 1 3 340.471 2.851 50 0 EFAAHO Cc1ccc2c(NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)ccnc2c1C ZINC001506413765 1405757938 /nfs/dbraw/zinc/75/79/38/1405757938.db2.gz KMIGCNUPEOUZHI-MRXNPFEDSA-N 1 3 340.471 2.851 50 0 EFAAHO Cc1ccc2c(NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)ccnc2c1C ZINC001506413759 1405758093 /nfs/dbraw/zinc/75/80/93/1405758093.db2.gz KMIGCNUPEOUZHI-INIZCTEOSA-N 1 3 340.471 2.851 50 0 EFAAHO Cc1ccc2c(NCCC[N@H+]3CCC[C@H](C(N)=O)C3)ccnc2c1C ZINC001506413759 1405758095 /nfs/dbraw/zinc/75/80/95/1405758095.db2.gz KMIGCNUPEOUZHI-INIZCTEOSA-N 1 3 340.471 2.851 50 0 EFAAHO C1CC(N2CCC([NH2+]C3CSCCSC3)CC2)CCS1 ZINC001506417963 1405759966 /nfs/dbraw/zinc/75/99/66/1405759966.db2.gz MRABVAYVTDESGB-UHFFFAOYSA-N 1 3 332.604 2.785 50 0 EFAAHO C1CC([NH+]2CCC(NC3CSCCSC3)CC2)CCS1 ZINC001506417963 1405759970 /nfs/dbraw/zinc/75/99/70/1405759970.db2.gz MRABVAYVTDESGB-UHFFFAOYSA-N 1 3 332.604 2.785 50 0 EFAAHO CC[NH+]1CCC(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 ZINC001704299025 1417901163 /nfs/dbraw/zinc/90/11/63/1417901163.db2.gz NBBWZTYHAGVXLP-DYESRHJHSA-N 1 3 339.483 2.866 50 0 EFAAHO CC(C)(CN1CCCC1)C[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055307369 214304607 /nfs/dbraw/zinc/30/46/07/214304607.db2.gz VDWCNRICRJHIEG-UHFFFAOYSA-N 1 3 331.508 2.914 50 0 EFAAHO c1ccc(C(c2ccccc2)N2CCN(C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1 ZINC000102780060 219230635 /nfs/dbraw/zinc/23/06/35/219230635.db2.gz JSTZXWLPWQBLGC-ZBYYUNFXSA-N 1 3 347.506 2.859 50 0 EFAAHO CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(CC3CC[NH2+]CC3)c1)C2 ZINC000072152380 216040466 /nfs/dbraw/zinc/04/04/66/216040466.db2.gz VIHCZIWCHWFJJX-VQTJNVASSA-N 1 3 341.499 2.537 50 0 EFAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1cccc(F)c1)CC[NH+](C)CC2 ZINC000072468119 216247703 /nfs/dbraw/zinc/24/77/03/216247703.db2.gz DMVZZICXEIQXLT-GOSISDBHSA-N 1 3 347.478 2.638 50 0 EFAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072474902 216252426 /nfs/dbraw/zinc/25/24/26/216252426.db2.gz AKGCUXPKBGLHES-SFHVURJKSA-N 1 3 347.503 2.743 50 0 EFAAHO CSc1ccc(C[NH2+]C2CCN(c3cc(C)nc(N)n3)CC2)cc1 ZINC000095381124 218313120 /nfs/dbraw/zinc/31/31/20/218313120.db2.gz OPUPPGWRLDJAQQ-UHFFFAOYSA-N 1 3 343.500 2.848 50 0 EFAAHO [NH3+][C@H]1CCCN(Cc2ccc(OCCCn3ccnc3)cc2)CC1 ZINC000097425742 219023579 /nfs/dbraw/zinc/02/35/79/219023579.db2.gz FBEOKGNDRDPHDW-SFHVURJKSA-N 1 3 328.460 2.665 50 0 EFAAHO CN1CC[C@H](N2CC3(CCC2=O)CC[NH+](Cc2ccsc2)CC3)C1 ZINC000095516439 473218076 /nfs/dbraw/zinc/21/80/76/473218076.db2.gz JHGXPDKUIZULGS-KRWDZBQOSA-N 1 3 347.528 2.657 50 0 EFAAHO N=C1NC(=[NH2+])N(CCc2ccc(F)cc2)[C@H](c2cccc(Cl)c2)N1 ZINC000006819927 471572277 /nfs/dbraw/zinc/57/22/77/471572277.db2.gz RPKVMNWWHQCISS-OAHLLOKOSA-N 1 3 345.809 2.665 50 0 EFAAHO CN(C)Cc1ccccc1CN(C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095375471 1292096388 /nfs/dbraw/zinc/09/63/88/1292096388.db2.gz JPISPWQCPMTKCL-LJQANCHMSA-N 1 3 331.504 2.971 50 0 EFAAHO CN(C)Cc1ccccc1CN(C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095375471 1292096395 /nfs/dbraw/zinc/09/63/95/1292096395.db2.gz JPISPWQCPMTKCL-LJQANCHMSA-N 1 3 331.504 2.971 50 0 EFAAHO c1nncn1CC[N@@H+]1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 ZINC001506420228 1405760761 /nfs/dbraw/zinc/76/07/61/1405760761.db2.gz ZBDCBKMRCNPBDB-FQEVSTJZSA-N 1 3 339.487 2.656 50 0 EFAAHO c1nncn1CC[N@H+]1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 ZINC001506420228 1405760764 /nfs/dbraw/zinc/76/07/64/1405760764.db2.gz ZBDCBKMRCNPBDB-FQEVSTJZSA-N 1 3 339.487 2.656 50 0 EFAAHO CCC(=O)N(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000095521263 717544152 /nfs/dbraw/zinc/54/41/52/717544152.db2.gz AYTNRYCWXXCPHJ-KRWDZBQOSA-N 1 3 349.494 2.838 50 0 EFAAHO C[N@@H+]1CCC2(CCN(c3ccnc4ccccc43)CC2)[C@@H](CO)C1 ZINC000097713675 219050667 /nfs/dbraw/zinc/05/06/67/219050667.db2.gz MHERGJYIRBONTO-MRXNPFEDSA-N 1 3 325.456 2.765 50 0 EFAAHO C[N@H+]1CCC2(CCN(c3ccnc4ccccc43)CC2)[C@@H](CO)C1 ZINC000097713675 219050669 /nfs/dbraw/zinc/05/06/69/219050669.db2.gz MHERGJYIRBONTO-MRXNPFEDSA-N 1 3 325.456 2.765 50 0 EFAAHO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3(N)CCCC3)C2)cc1C ZINC000067726109 215196658 /nfs/dbraw/zinc/19/66/58/215196658.db2.gz DCZSVLPEUVSDEA-SFHVURJKSA-N 1 3 329.488 2.513 50 0 EFAAHO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C3(N)CCCC3)C2)cc1C ZINC000067726109 215196660 /nfs/dbraw/zinc/19/66/60/215196660.db2.gz DCZSVLPEUVSDEA-SFHVURJKSA-N 1 3 329.488 2.513 50 0 EFAAHO CCCN1CC2(C[C@@H]1C(=O)NCC1=CCCCC1)CC[NH+](C)CC2 ZINC000072470183 216249104 /nfs/dbraw/zinc/24/91/04/216249104.db2.gz GZPALELSSHMSJG-GOSISDBHSA-N 1 3 333.520 2.799 50 0 EFAAHO O=C1CC[C@@]2(CCC[N@@H+](C3CCNCC3)C2)CN1Cc1ccccc1 ZINC000072478164 216257670 /nfs/dbraw/zinc/25/76/70/216257670.db2.gz ZGIGMDMKJFOTIT-OAQYLSRUSA-N 1 3 341.499 2.643 50 0 EFAAHO O=C1CC[C@@]2(CCC[N@H+](C3CCNCC3)C2)CN1Cc1ccccc1 ZINC000072478164 216257672 /nfs/dbraw/zinc/25/76/72/216257672.db2.gz ZGIGMDMKJFOTIT-OAQYLSRUSA-N 1 3 341.499 2.643 50 0 EFAAHO COc1ccc(CN2CCC[C@H](N(C)CCC[NH+](C)C)C2)c(F)c1 ZINC000020869183 212180522 /nfs/dbraw/zinc/18/05/22/212180522.db2.gz CHFFWSZTXRMNRO-KRWDZBQOSA-N 1 3 337.483 2.682 50 0 EFAAHO COc1ccc(CN2CCC[C@H]([N@H+](C)CCCN(C)C)C2)c(F)c1 ZINC000020869183 212180525 /nfs/dbraw/zinc/18/05/25/212180525.db2.gz CHFFWSZTXRMNRO-KRWDZBQOSA-N 1 3 337.483 2.682 50 0 EFAAHO COc1ccc(CN2CCC[C@H]([N@@H+](C)CCCN(C)C)C2)c(F)c1 ZINC000020869183 212180528 /nfs/dbraw/zinc/18/05/28/212180528.db2.gz CHFFWSZTXRMNRO-KRWDZBQOSA-N 1 3 337.483 2.682 50 0 EFAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000020682584 212161500 /nfs/dbraw/zinc/16/15/00/212161500.db2.gz QCZWIAGMXCMYCG-QGZVFWFLSA-N 1 3 349.544 2.653 50 0 EFAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000020682584 212161504 /nfs/dbraw/zinc/16/15/04/212161504.db2.gz QCZWIAGMXCMYCG-QGZVFWFLSA-N 1 3 349.544 2.653 50 0 EFAAHO c1ccc(CN2CCC(N3CCC[C@@H]([NH+]4CCCC4)C3)CC2)nc1 ZINC000019771313 212062779 /nfs/dbraw/zinc/06/27/79/212062779.db2.gz QSULKUWQBJYFRH-HXUWFJFHSA-N 1 3 328.504 2.606 50 0 EFAAHO c1ccc(CN2CCC([N@@H+]3CCC[C@@H](N4CCCC4)C3)CC2)nc1 ZINC000019771313 212062782 /nfs/dbraw/zinc/06/27/82/212062782.db2.gz QSULKUWQBJYFRH-HXUWFJFHSA-N 1 3 328.504 2.606 50 0 EFAAHO c1ccc(CN2CCC([N@H+]3CCC[C@@H](N4CCCC4)C3)CC2)nc1 ZINC000019771313 212062784 /nfs/dbraw/zinc/06/27/84/212062784.db2.gz QSULKUWQBJYFRH-HXUWFJFHSA-N 1 3 328.504 2.606 50 0 EFAAHO Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1CN1CCCCCC1 ZINC000079496741 217235410 /nfs/dbraw/zinc/23/54/10/217235410.db2.gz SZFMBFJAMWSFSP-UHFFFAOYSA-N 1 3 347.503 2.843 50 0 EFAAHO OC[C@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1CN1CCCCC1 ZINC000091548194 218020768 /nfs/dbraw/zinc/02/07/68/218020768.db2.gz DJYRSQYXYAIGQB-RTBURBONSA-N 1 3 327.472 2.694 50 0 EFAAHO OC[C@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1CN1CCCCC1 ZINC000091548194 218020770 /nfs/dbraw/zinc/02/07/70/218020770.db2.gz DJYRSQYXYAIGQB-RTBURBONSA-N 1 3 327.472 2.694 50 0 EFAAHO CN1CC[C@@H](N2CC3(CCC2=O)CC[NH+](Cc2cccs2)CC3)C1 ZINC000091663648 218041730 /nfs/dbraw/zinc/04/17/30/218041730.db2.gz ANMYUNBYWOIKLD-MRXNPFEDSA-N 1 3 347.528 2.657 50 0 EFAAHO Cc1cc(N2CCC([NH2+][C@H](C)Cc3ccsc3)CC2)nc(N)n1 ZINC000095379019 218311293 /nfs/dbraw/zinc/31/12/93/218311293.db2.gz YKTXUGGZAKJZMN-GFCCVEGCSA-N 1 3 331.489 2.618 50 0 EFAAHO CN(C)Cc1ccccc1CNC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000299781098 258090037 /nfs/dbraw/zinc/09/00/37/258090037.db2.gz DDQGSWVKAGFIRQ-UHFFFAOYSA-N 1 3 329.488 2.773 50 0 EFAAHO O=C([C@@H]1CCC[NH2+]CC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000299786926 258093396 /nfs/dbraw/zinc/09/33/96/258093396.db2.gz YFWCBFLLUKRKDR-HXUWFJFHSA-N 1 3 343.515 2.543 50 0 EFAAHO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)CC(C)(C)CO)C2)cc1 ZINC000012710467 471790495 /nfs/dbraw/zinc/79/04/95/471790495.db2.gz HBWDBYPNZDGHAO-IBGZPJMESA-N 1 3 348.531 2.900 50 0 EFAAHO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)CC(C)(C)CO)C2)cc1 ZINC000012710467 471790499 /nfs/dbraw/zinc/79/04/99/471790499.db2.gz HBWDBYPNZDGHAO-IBGZPJMESA-N 1 3 348.531 2.900 50 0 EFAAHO FC(F)(F)c1cccc(C[C@H]2CN(CC3CC[NH2+]CC3)CCO2)c1 ZINC000071759146 472561487 /nfs/dbraw/zinc/56/14/87/472561487.db2.gz POHBJJKMJVODQA-KRWDZBQOSA-N 1 3 342.405 2.948 50 0 EFAAHO CN1CCC(N(CCc2ccccc2)C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000072426565 472664012 /nfs/dbraw/zinc/66/40/12/472664012.db2.gz ZEKFKLFUIAXHLS-LJQANCHMSA-N 1 3 343.515 2.542 50 0 EFAAHO CN1CC[NH+](CC2CCN(Cc3ccc4ccccc4n3)CC2)CC1 ZINC000215938273 474139981 /nfs/dbraw/zinc/13/99/81/474139981.db2.gz AGZVIGWDGJYORE-UHFFFAOYSA-N 1 3 338.499 2.694 50 0 EFAAHO c1cc(C[C@@H]2COC[C@@H]2[NH2+]C2CCN(C3CCCC3)CC2)ccn1 ZINC001704300204 1417901564 /nfs/dbraw/zinc/90/15/64/1417901564.db2.gz QAURUOPMNXKLAT-XLIONFOSSA-N 1 3 329.488 2.636 50 0 EFAAHO CN(Cc1ccc(F)cc1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000019789742 202020876 /nfs/dbraw/zinc/02/08/76/202020876.db2.gz HBEPDKZZACTCAJ-UXHICEINSA-N 1 3 340.442 2.995 50 0 EFAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC000020454237 202043416 /nfs/dbraw/zinc/04/34/16/202043416.db2.gz ZHAGKFLZJDBQOL-QGZVFWFLSA-N 1 3 343.471 2.921 50 0 EFAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC000020454237 202043421 /nfs/dbraw/zinc/04/34/21/202043421.db2.gz ZHAGKFLZJDBQOL-QGZVFWFLSA-N 1 3 343.471 2.921 50 0 EFAAHO O=C1CC[C@]2(CCC[N@@H+](C3CCNCC3)C2)CN1Cc1ccccc1 ZINC000072478163 216257191 /nfs/dbraw/zinc/25/71/91/216257191.db2.gz ZGIGMDMKJFOTIT-NRFANRHFSA-N 1 3 341.499 2.643 50 0 EFAAHO O=C1CC[C@]2(CCC[N@H+](C3CCNCC3)C2)CN1Cc1ccccc1 ZINC000072478163 216257194 /nfs/dbraw/zinc/25/71/94/216257194.db2.gz ZGIGMDMKJFOTIT-NRFANRHFSA-N 1 3 341.499 2.643 50 0 EFAAHO CC(C)(CN1CCCC1)C[NH+]1CCC(Cn2cc(C3CC3)nn2)CC1 ZINC000055199753 202683877 /nfs/dbraw/zinc/68/38/77/202683877.db2.gz DRIJEUZQRSSLNK-UHFFFAOYSA-N 1 3 345.535 2.990 50 0 EFAAHO [NH3+]C[C@H]1CCCCN1Cc1cccc(OCCN2CCCCC2)c1 ZINC000215654888 241138088 /nfs/dbraw/zinc/13/80/88/241138088.db2.gz CDRUTSJXNLKVKN-LJQANCHMSA-N 1 3 331.504 2.865 50 0 EFAAHO CC[C@@H]1C[N@H+](CC2CCN(C)CC2)CCC(=O)N1Cc1ccccc1 ZINC000071745392 203105419 /nfs/dbraw/zinc/10/54/19/203105419.db2.gz VHQKLPALLBOTKU-HXUWFJFHSA-N 1 3 343.515 2.841 50 0 EFAAHO CC[C@@H]1C[N@@H+](CC2CCN(C)CC2)CCC(=O)N1Cc1ccccc1 ZINC000071745392 203105423 /nfs/dbraw/zinc/10/54/23/203105423.db2.gz VHQKLPALLBOTKU-HXUWFJFHSA-N 1 3 343.515 2.841 50 0 EFAAHO Fc1cc(F)cc([C@@H]2CN(C3CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072167844 203180293 /nfs/dbraw/zinc/18/02/93/203180293.db2.gz QRGPIHQSELZCAY-XUVXKRRUSA-N 1 3 347.453 2.579 50 0 EFAAHO Fc1cc(F)cc([C@@H]2C[N@@H+](C3CCNCC3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072167844 203180295 /nfs/dbraw/zinc/18/02/95/203180295.db2.gz QRGPIHQSELZCAY-XUVXKRRUSA-N 1 3 347.453 2.579 50 0 EFAAHO Fc1cc(F)cc([C@@H]2C[N@H+](C3CCNCC3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072167844 203180298 /nfs/dbraw/zinc/18/02/98/203180298.db2.gz QRGPIHQSELZCAY-XUVXKRRUSA-N 1 3 347.453 2.579 50 0 EFAAHO CC1(C)CC(n2ccnc2-c2cc3n(n2)CCCNC3)CC(C)(C)[NH2+]1 ZINC000072448009 203227220 /nfs/dbraw/zinc/22/72/20/203227220.db2.gz DAOSAOCEYPRRTA-UHFFFAOYSA-N 1 3 342.491 2.722 50 0 EFAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1ccccc1F)CC[NH+](C)CC2 ZINC000072454055 203227451 /nfs/dbraw/zinc/22/74/51/203227451.db2.gz FCOJIAJRTMEJAW-GOSISDBHSA-N 1 3 347.478 2.638 50 0 EFAAHO CCCN1CC2(C[C@H]1C(=O)NCC1=CCCCC1)CC[NH+](C)CC2 ZINC000072470185 203228860 /nfs/dbraw/zinc/22/88/60/203228860.db2.gz GZPALELSSHMSJG-SFHVURJKSA-N 1 3 333.520 2.799 50 0 EFAAHO C[C@H](c1ccc(CN2C[C@H]3[C@H](C(=O)N4CCCC4)[C@H]3C2)cc1)[NH+](C)C ZINC000102160997 204032756 /nfs/dbraw/zinc/03/27/56/204032756.db2.gz KGTFFGSMGSOARF-XCLNPWKQSA-N 1 3 341.499 2.609 50 0 EFAAHO CN1CCC(C(=O)N2CCC[C@H]([NH+](C)C)CC2)(c2ccccc2)CC1 ZINC000072428213 289368515 /nfs/dbraw/zinc/36/85/15/289368515.db2.gz NBHHQKQGIRXRTQ-IBGZPJMESA-N 1 3 343.515 2.593 50 0 EFAAHO N[C@H]1c2ccccc2C[C@@H]1NC(=O)CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000095504289 473215318 /nfs/dbraw/zinc/21/53/18/473215318.db2.gz ISSBGLRTOLMOEK-RMYQPGKMSA-N 1 3 341.499 2.772 50 0 EFAAHO N[C@H]1c2ccccc2C[C@@H]1NC(=O)CC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000095504289 473215321 /nfs/dbraw/zinc/21/53/21/473215321.db2.gz ISSBGLRTOLMOEK-RMYQPGKMSA-N 1 3 341.499 2.772 50 0 EFAAHO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C3CCCCC3)CC2)C1 ZINC000011951776 471762164 /nfs/dbraw/zinc/76/21/64/471762164.db2.gz OQZOEXRWOKWOSR-INIZCTEOSA-N 1 3 333.520 2.774 50 0 EFAAHO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C3CCCCC3)CC2)C1 ZINC000011951776 471762170 /nfs/dbraw/zinc/76/21/70/471762170.db2.gz OQZOEXRWOKWOSR-INIZCTEOSA-N 1 3 333.520 2.774 50 0 EFAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000012573643 471783264 /nfs/dbraw/zinc/78/32/64/471783264.db2.gz ACCYUCOGBPVYDW-KRWDZBQOSA-N 1 3 337.895 2.828 50 0 EFAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000012573643 471783268 /nfs/dbraw/zinc/78/32/68/471783268.db2.gz ACCYUCOGBPVYDW-KRWDZBQOSA-N 1 3 337.895 2.828 50 0 EFAAHO COC(=O)c1cccc(CN2CCCN(c3cc[nH+]cc3C)CC2)c1 ZINC000067490605 472039683 /nfs/dbraw/zinc/03/96/83/472039683.db2.gz WBJDYEYGDLXAQU-UHFFFAOYSA-N 1 3 339.439 2.889 50 0 EFAAHO O=C(c1ccoc1)N1CCCN(C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067756920 472085197 /nfs/dbraw/zinc/08/51/97/472085197.db2.gz ABKUTENFXKVWSL-UHFFFAOYSA-N 1 3 345.487 2.740 50 0 EFAAHO CCN(Cc1cc(=O)n2c3c(cccc13)CCC2)C[C@@H]1CC[N@H+](C)C1 ZINC000067788547 472089493 /nfs/dbraw/zinc/08/94/93/472089493.db2.gz AYBPXKIKPMHREL-MRXNPFEDSA-N 1 3 339.483 2.721 50 0 EFAAHO CCN(Cc1cc(=O)n2c3c(cccc13)CCC2)C[C@@H]1CC[N@@H+](C)C1 ZINC000067788547 472089497 /nfs/dbraw/zinc/08/94/97/472089497.db2.gz AYBPXKIKPMHREL-MRXNPFEDSA-N 1 3 339.483 2.721 50 0 EFAAHO Oc1cc(-c2cccnc2)cc2c1OCCN(CC1CC[NH2+]CC1)C2 ZINC000067967606 472117629 /nfs/dbraw/zinc/11/76/29/472117629.db2.gz XFDJVWVCBSHNBH-UHFFFAOYSA-N 1 3 339.439 2.648 50 0 EFAAHO COc1ccc(CN2CCC(CO)(C[NH+]3CCCC3)CC2)c(C)c1C ZINC000222856402 474176374 /nfs/dbraw/zinc/17/63/74/474176374.db2.gz KIFQCBRROQPHNC-UHFFFAOYSA-N 1 3 346.515 2.982 50 0 EFAAHO C[NH+](C)C[C@@H]1CCN(Cc2ccccc2OC2CCCC2)C[C@H]1O ZINC000216341201 535944392 /nfs/dbraw/zinc/94/43/92/535944392.db2.gz NYXJSCVAOIGFOJ-QFBILLFUSA-N 1 3 332.488 2.752 50 0 EFAAHO C[NH+](C)Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000012718681 1307074153 /nfs/dbraw/zinc/07/41/53/1307074153.db2.gz JZSKSVLQJMXROQ-FQEVSTJZSA-N 1 3 340.467 2.546 50 0 EFAAHO C[NH+](C)Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000012718682 1307074505 /nfs/dbraw/zinc/07/45/05/1307074505.db2.gz JZSKSVLQJMXROQ-HXUWFJFHSA-N 1 3 340.467 2.546 50 0 EFAAHO CN1CC[N@H+](C)CC12CCN(Cc1ccc([C@@H]3CCCO3)s1)CC2 ZINC000067676336 1316065261 /nfs/dbraw/zinc/06/52/61/1316065261.db2.gz FMGVUHHHIWOTJG-KRWDZBQOSA-N 1 3 349.544 2.811 50 0 EFAAHO CN1CC[N@@H+](C)CC12CCN(Cc1ccc([C@@H]3CCCO3)s1)CC2 ZINC000067676336 1316065263 /nfs/dbraw/zinc/06/52/63/1316065263.db2.gz FMGVUHHHIWOTJG-KRWDZBQOSA-N 1 3 349.544 2.811 50 0 EFAAHO CN(Cc1ccsc1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023380303 718120375 /nfs/dbraw/zinc/12/03/75/718120375.db2.gz PNOLLSQUMOHEDA-MSOLQXFVSA-N 1 3 328.481 2.917 50 0 EFAAHO C[N@@H+]1CCC2(CCN(c3ccnc4ccccc43)CC2)[C@H](CO)C1 ZINC000097713674 219050276 /nfs/dbraw/zinc/05/02/76/219050276.db2.gz MHERGJYIRBONTO-INIZCTEOSA-N 1 3 325.456 2.765 50 0 EFAAHO C[N@H+]1CCC2(CCN(c3ccnc4ccccc43)CC2)[C@H](CO)C1 ZINC000097713674 219050278 /nfs/dbraw/zinc/05/02/78/219050278.db2.gz MHERGJYIRBONTO-INIZCTEOSA-N 1 3 325.456 2.765 50 0 EFAAHO C[NH+](C)C[C@]1(O)CCCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000072165847 216055501 /nfs/dbraw/zinc/05/55/01/216055501.db2.gz RSLHXHSTTCUXQG-INIZCTEOSA-N 1 3 346.393 2.864 50 0 EFAAHO Cc1cccc(CN(C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)C(C)C)c1 ZINC000072410611 216202457 /nfs/dbraw/zinc/20/24/57/216202457.db2.gz ZLOLTTUZGVGVLQ-IBGZPJMESA-N 1 3 343.515 2.806 50 0 EFAAHO Cc1cccc(CN(C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)C(C)C)c1 ZINC000072410612 216203107 /nfs/dbraw/zinc/20/31/07/216203107.db2.gz ZLOLTTUZGVGVLQ-LJQANCHMSA-N 1 3 343.515 2.806 50 0 EFAAHO Cc1ccccc1CN1CCC2(CN(CCC[NH+](C)C)C(=O)O2)CC1 ZINC000072423262 216212308 /nfs/dbraw/zinc/21/23/08/216212308.db2.gz JCJOQIOQQYXWMH-UHFFFAOYSA-N 1 3 345.487 2.734 50 0 EFAAHO [NH3+]CCCN1C(=O)CC[C@H]2CN(C/C=C/c3ccc(F)cc3)CC[C@H]21 ZINC000072432586 216226643 /nfs/dbraw/zinc/22/66/43/216226643.db2.gz XKJBSBNZGMRFKT-PXZIRBJMSA-N 1 3 345.462 2.501 50 0 EFAAHO CCCN1CC2(C[C@H]1C(=O)NCc1cccc(C)c1)CC[NH+](C)CC2 ZINC000072473102 216250560 /nfs/dbraw/zinc/25/05/60/216250560.db2.gz NZHIWJIAUQIDIA-IBGZPJMESA-N 1 3 343.515 2.808 50 0 EFAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1ccsc1)CC[NH+](C)CC2 ZINC000072473662 216250618 /nfs/dbraw/zinc/25/06/18/216250618.db2.gz YNDQEQXNYYMWCX-MRXNPFEDSA-N 1 3 335.517 2.561 50 0 EFAAHO CCCN1CC2(C[C@H]1C(=O)NCc1cccc(F)c1)CC[NH+](C)CC2 ZINC000072468121 216247680 /nfs/dbraw/zinc/24/76/80/216247680.db2.gz DMVZZICXEIQXLT-SFHVURJKSA-N 1 3 347.478 2.638 50 0 EFAAHO CCCN1CC2(C[C@H]1C(=O)NCCCc1ccco1)CC[NH+](C)CC2 ZINC000072474588 216251869 /nfs/dbraw/zinc/25/18/69/216251869.db2.gz VDGJCMGCTSDLKF-SFHVURJKSA-N 1 3 347.503 2.525 50 0 EFAAHO CSc1ccccc1C(=O)N1CCC[C@H]([N@H+](C)CCCN(C)C)C1 ZINC000020599098 212151153 /nfs/dbraw/zinc/15/11/53/212151153.db2.gz YAGDVOBYUIEDHJ-INIZCTEOSA-N 1 3 349.544 2.897 50 0 EFAAHO CSc1ccccc1C(=O)N1CCC[C@H]([N@@H+](C)CCCN(C)C)C1 ZINC000020599098 212151154 /nfs/dbraw/zinc/15/11/54/212151154.db2.gz YAGDVOBYUIEDHJ-INIZCTEOSA-N 1 3 349.544 2.897 50 0 EFAAHO NC1(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1 ZINC000426361338 247267466 /nfs/dbraw/zinc/26/74/66/247267466.db2.gz QIKYCNIEOSCQCK-LJQANCHMSA-N 1 3 333.520 2.763 50 0 EFAAHO NC1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000426361338 247267470 /nfs/dbraw/zinc/26/74/70/247267470.db2.gz QIKYCNIEOSCQCK-LJQANCHMSA-N 1 3 333.520 2.763 50 0 EFAAHO CN(Cc1cnn(C)c1)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012439467 211381835 /nfs/dbraw/zinc/38/18/35/211381835.db2.gz IUFVEGDIWFTQRZ-UHFFFAOYSA-N 1 3 344.478 2.946 50 0 EFAAHO COc1ccccc1CCCNC[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063832693 258062510 /nfs/dbraw/zinc/06/25/10/258062510.db2.gz FTPWCFOLEKDFEF-WOJBJXKFSA-N 1 3 332.488 2.597 50 0 EFAAHO COc1ccccc1CCCNC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063832693 258062511 /nfs/dbraw/zinc/06/25/11/258062511.db2.gz FTPWCFOLEKDFEF-WOJBJXKFSA-N 1 3 332.488 2.597 50 0 EFAAHO Oc1ccccc1N1CC[NH+](C[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000055309404 132194758 /nfs/dbraw/zinc/19/47/58/132194758.db2.gz DJAOLGXMROIBPA-ZWKOTPCHSA-N 1 3 329.488 2.779 50 0 EFAAHO CN1CCCN(c2ncccc2C[NH2+]C[C@H]2CCOC(C)(C)C2)CC1 ZINC000039552541 277052647 /nfs/dbraw/zinc/05/26/47/277052647.db2.gz IXRNBBSEKXLTPY-KRWDZBQOSA-N 1 3 346.519 2.518 50 0 EFAAHO CN(C)CCNC(=O)CCC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012709373 471790638 /nfs/dbraw/zinc/79/06/38/471790638.db2.gz LKAWDWZXBHYGSA-RMKNXTFCSA-N 1 3 343.515 2.870 50 0 EFAAHO Cc1cc(N2CC[C@@](O)(C[NH+]3CCCCC3)C2)c2ccccc2n1 ZINC000077440722 472526914 /nfs/dbraw/zinc/52/69/14/472526914.db2.gz RGQFIYRDTCDICX-HXUWFJFHSA-N 1 3 325.456 2.970 50 0 EFAAHO FC(F)(F)c1cccc(C[C@@H]2CN(CC3CC[NH2+]CC3)CCO2)c1 ZINC000071759145 472562134 /nfs/dbraw/zinc/56/21/34/472562134.db2.gz POHBJJKMJVODQA-QGZVFWFLSA-N 1 3 342.405 2.948 50 0 EFAAHO CN1CCC(N(CCc2ccccc2)C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000072426566 472662777 /nfs/dbraw/zinc/66/27/77/472662777.db2.gz ZEKFKLFUIAXHLS-IBGZPJMESA-N 1 3 343.515 2.542 50 0 EFAAHO CCC[NH+]1CCC(N2CCC(n3cc(CC(C)C)nn3)CC2)CC1 ZINC000048087892 472812376 /nfs/dbraw/zinc/81/23/76/472812376.db2.gz BEJSPMMIXWZOTI-UHFFFAOYSA-N 1 3 333.524 2.988 50 0 EFAAHO CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000095521262 1292258306 /nfs/dbraw/zinc/25/83/06/1292258306.db2.gz AYTNRYCWXXCPHJ-QGZVFWFLSA-N 1 3 349.494 2.838 50 0 EFAAHO c1nncn1CC[N@@H+]1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 ZINC001506420229 1405761436 /nfs/dbraw/zinc/76/14/36/1405761436.db2.gz ZBDCBKMRCNPBDB-HXUWFJFHSA-N 1 3 339.487 2.656 50 0 EFAAHO c1nncn1CC[N@H+]1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 ZINC001506420229 1405761438 /nfs/dbraw/zinc/76/14/38/1405761438.db2.gz ZBDCBKMRCNPBDB-HXUWFJFHSA-N 1 3 339.487 2.656 50 0 EFAAHO CCC1(CC)CN([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CCO1 ZINC000023431759 718180005 /nfs/dbraw/zinc/18/00/05/718180005.db2.gz LKQOENDJUKMJSX-MOPGFXCFSA-N 1 3 344.499 2.614 50 0 EFAAHO CC(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3(N)CCC3)C2)cc1 ZINC000067675074 215180258 /nfs/dbraw/zinc/18/02/58/215180258.db2.gz OFDJCNWRRTWMOL-QGZVFWFLSA-N 1 3 329.488 2.630 50 0 EFAAHO CC(C)c1ccc(C[N@H+]2CC[C@H](CNC(=O)C3(N)CCC3)C2)cc1 ZINC000067675074 215180260 /nfs/dbraw/zinc/18/02/60/215180260.db2.gz OFDJCNWRRTWMOL-QGZVFWFLSA-N 1 3 329.488 2.630 50 0 EFAAHO CCn1ccc2ccc(CN3CCN(C)C4(CC[NH+](C)CC4)C3)cc21 ZINC000067817505 215219609 /nfs/dbraw/zinc/21/96/09/215219609.db2.gz AWODRUQGPMWPPD-UHFFFAOYSA-N 1 3 340.515 2.873 50 0 EFAAHO NC1(C(=O)NCC[C@@H]2CCC[N@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000067852395 215231883 /nfs/dbraw/zinc/23/18/83/215231883.db2.gz UZDCMWMLXYTMMM-HNNXBMFYSA-N 1 3 341.455 2.642 50 0 EFAAHO NC1(C(=O)NCC[C@@H]2CCC[N@@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000067852395 215231887 /nfs/dbraw/zinc/23/18/87/215231887.db2.gz UZDCMWMLXYTMMM-HNNXBMFYSA-N 1 3 341.455 2.642 50 0 EFAAHO Cc1cc(N2CCC[N@@H+](C3CCN(C(=O)C(C)C)CC3)CC2)ccn1 ZINC000067880199 215239116 /nfs/dbraw/zinc/23/91/16/215239116.db2.gz DQNDSJLMHBOUJT-UHFFFAOYSA-N 1 3 344.503 2.549 50 0 EFAAHO Cc1cc(N2CCC[N@H+](C3CCN(C(=O)C(C)C)CC3)CC2)ccn1 ZINC000067880199 215239120 /nfs/dbraw/zinc/23/91/20/215239120.db2.gz DQNDSJLMHBOUJT-UHFFFAOYSA-N 1 3 344.503 2.549 50 0 EFAAHO Cc1cc(N2CCCN(C3CCN(C(=O)C(C)C)CC3)CC2)cc[nH+]1 ZINC000067880199 215239121 /nfs/dbraw/zinc/23/91/21/215239121.db2.gz DQNDSJLMHBOUJT-UHFFFAOYSA-N 1 3 344.503 2.549 50 0 EFAAHO c1cc(CCN2CCN(C3CCC4(CC[NH2+]CC4)CC3)CC2)ccn1 ZINC000067919586 215250466 /nfs/dbraw/zinc/25/04/66/215250466.db2.gz ZEBFYPPTCYFMNQ-UHFFFAOYSA-N 1 3 342.531 2.554 50 0 EFAAHO c1ccc(CNc2ncc(CN3CCC4(C3)CC[NH2+]CC4)cn2)cc1 ZINC000067955585 215259228 /nfs/dbraw/zinc/25/92/28/215259228.db2.gz FLPOWZSIWQEGMT-UHFFFAOYSA-N 1 3 337.471 2.664 50 0 EFAAHO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000039754496 213242165 /nfs/dbraw/zinc/24/21/65/213242165.db2.gz SRUUQOZKSZTOKY-UHFFFAOYSA-N 1 3 343.515 2.891 50 0 EFAAHO CC(C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCCN1Cc1ccc(F)cc1 ZINC000072163118 216052044 /nfs/dbraw/zinc/05/20/44/216052044.db2.gz DTKRJDUIIAXGSV-IBGZPJMESA-N 1 3 349.494 2.836 50 0 EFAAHO CN1CCCCC[C@H]1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000244873465 243091818 /nfs/dbraw/zinc/09/18/18/243091818.db2.gz WQWIGBJYPYYLBY-FQEVSTJZSA-N 1 3 343.515 2.684 50 0 EFAAHO Cc1cc(N2CCCN(C(=O)CN3CCCCCCC3)CC2)cc[nH+]1 ZINC000091908092 218086876 /nfs/dbraw/zinc/08/68/76/218086876.db2.gz CNKJEKDXBFKLCB-UHFFFAOYSA-N 1 3 344.503 2.695 50 0 EFAAHO Cc1ccc2nccc(N3CCC([NH+]4CCC(O)CC4)CC3)c2c1 ZINC000095388533 218320577 /nfs/dbraw/zinc/32/05/77/218320577.db2.gz LEWZPHSHSDPTCK-UHFFFAOYSA-N 1 3 325.456 2.969 50 0 EFAAHO CN1CCCN(c2ncccc2C[NH2+]C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000015076053 277052677 /nfs/dbraw/zinc/05/26/77/277052677.db2.gz IXRNBBSEKXLTPY-QGZVFWFLSA-N 1 3 346.519 2.518 50 0 EFAAHO CN1CCC(CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000012593566 471784223 /nfs/dbraw/zinc/78/42/23/471784223.db2.gz IKZVAEHPADMQHH-LJQANCHMSA-N 1 3 335.536 2.879 50 0 EFAAHO CN1CCC(CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC000012593566 471784228 /nfs/dbraw/zinc/78/42/28/471784228.db2.gz IKZVAEHPADMQHH-LJQANCHMSA-N 1 3 335.536 2.879 50 0 EFAAHO [NH3+]CCCN1C(=O)CC[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000072447731 472664831 /nfs/dbraw/zinc/66/48/31/472664831.db2.gz ITSLYGAHFSPQHJ-DOTOQJQBSA-N 1 3 335.879 2.502 50 0 EFAAHO Cn1ccc2cc(CN3CCC(CO)(C[NH+]4CCCC4)CC3)ccc21 ZINC000223697143 474188703 /nfs/dbraw/zinc/18/87/03/474188703.db2.gz CSZAFIQJDFGONE-UHFFFAOYSA-N 1 3 341.499 2.849 50 0 EFAAHO C[NH+](C)CCOC1CCN(Cc2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000215113453 535892512 /nfs/dbraw/zinc/89/25/12/535892512.db2.gz LHYZZSMGLZENOX-UHFFFAOYSA-N 1 3 346.450 2.758 50 0 EFAAHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)N1CCOCC1 ZINC000215160671 536449841 /nfs/dbraw/zinc/44/98/41/536449841.db2.gz ZWYAKSNNZKQWON-HXUWFJFHSA-N 1 3 345.531 2.551 50 0 EFAAHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)N1CCOCC1 ZINC000215160671 536449845 /nfs/dbraw/zinc/44/98/45/536449845.db2.gz ZWYAKSNNZKQWON-HXUWFJFHSA-N 1 3 345.531 2.551 50 0 EFAAHO CC[C@H](C)Sc1ncc(CNCCNc2cc[nH+]cc2C)cn1 ZINC000952971582 1284941908 /nfs/dbraw/zinc/94/19/08/1284941908.db2.gz OTXMACCLRUQCPY-AWEZNQCLSA-N 1 3 331.489 2.694 50 0 EFAAHO Cc1cc(N2CCN(Cc3cc(CN(C)C)cs3)CC2)cc[nH+]1 ZINC000097711694 219049251 /nfs/dbraw/zinc/04/92/51/219049251.db2.gz FZIMNKDLYLVHNS-UHFFFAOYSA-N 1 3 330.501 2.835 50 0 EFAAHO Cc1cccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000004700019 210251245 /nfs/dbraw/zinc/25/12/45/210251245.db2.gz LSXJCNLNLKGTPT-UHFFFAOYSA-N 1 3 345.531 2.911 50 0 EFAAHO O=C1N[C@H]2CCC[C@@H]1CN(Cc1ccc(C[NH+]3CCCCC3)s1)C2 ZINC000097819666 219058877 /nfs/dbraw/zinc/05/88/77/219058877.db2.gz LRXIGEANVOVRQB-CVEARBPZSA-N 1 3 347.528 2.835 50 0 EFAAHO C[C@@H](c1ccc(CN2C[C@H]3[C@H](C(=O)N4CCCC4)[C@H]3C2)cc1)[NH+](C)C ZINC000102160992 219188075 /nfs/dbraw/zinc/18/80/75/219188075.db2.gz KGTFFGSMGSOARF-KCUHQSDYSA-N 1 3 341.499 2.609 50 0 EFAAHO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C3(N)CCC3)C2)cc1C ZINC000067947113 215256115 /nfs/dbraw/zinc/25/61/15/215256115.db2.gz BBSMJSJOJIEBNM-GOSISDBHSA-N 1 3 329.488 2.513 50 0 EFAAHO Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C3(N)CCC3)C2)cc1C ZINC000067947113 215256118 /nfs/dbraw/zinc/25/61/18/215256118.db2.gz BBSMJSJOJIEBNM-GOSISDBHSA-N 1 3 329.488 2.513 50 0 EFAAHO C[NH+](C)CCN1CC2(CCN(C/C=C/c3ccccc3)CC2)OC1=O ZINC000072476396 216254667 /nfs/dbraw/zinc/25/46/67/216254667.db2.gz IZORRWKGABOECP-RMKNXTFCSA-N 1 3 343.471 2.548 50 0 EFAAHO COc1cc(CN2CCC[C@@H](N(C)CCC[NH+](C)C)C2)ccc1F ZINC000023359028 212371390 /nfs/dbraw/zinc/37/13/90/212371390.db2.gz MUTZWEYDIQCRFR-QGZVFWFLSA-N 1 3 337.483 2.682 50 0 EFAAHO COc1cc(CN2CCC[C@@H]([N@H+](C)CCCN(C)C)C2)ccc1F ZINC000023359028 212371393 /nfs/dbraw/zinc/37/13/93/212371393.db2.gz MUTZWEYDIQCRFR-QGZVFWFLSA-N 1 3 337.483 2.682 50 0 EFAAHO COc1cc(CN2CCC[C@@H]([N@@H+](C)CCCN(C)C)C2)ccc1F ZINC000023359028 212371395 /nfs/dbraw/zinc/37/13/95/212371395.db2.gz MUTZWEYDIQCRFR-QGZVFWFLSA-N 1 3 337.483 2.682 50 0 EFAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000020682589 212161209 /nfs/dbraw/zinc/16/12/09/212161209.db2.gz QCZWIAGMXCMYCG-KRWDZBQOSA-N 1 3 349.544 2.653 50 0 EFAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000020682589 212161206 /nfs/dbraw/zinc/16/12/06/212161206.db2.gz QCZWIAGMXCMYCG-KRWDZBQOSA-N 1 3 349.544 2.653 50 0 EFAAHO CSc1ccccc1C(=O)N1CCC[C@@H]([N@@H+](C)CCCN(C)C)C1 ZINC000020599097 212151021 /nfs/dbraw/zinc/15/10/21/212151021.db2.gz YAGDVOBYUIEDHJ-MRXNPFEDSA-N 1 3 349.544 2.897 50 0 EFAAHO CSc1ccccc1C(=O)N1CCC[C@@H]([N@H+](C)CCCN(C)C)C1 ZINC000020599097 212151020 /nfs/dbraw/zinc/15/10/20/212151020.db2.gz YAGDVOBYUIEDHJ-MRXNPFEDSA-N 1 3 349.544 2.897 50 0 EFAAHO Cn1cc(C[N@@H+]2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)cn1 ZINC000020166473 212108237 /nfs/dbraw/zinc/10/82/37/212108237.db2.gz YMMMZWYEPQOUOK-FQEVSTJZSA-N 1 3 339.487 2.549 50 0 EFAAHO Cn1cc(C[N@H+]2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)cn1 ZINC000020166473 212108240 /nfs/dbraw/zinc/10/82/40/212108240.db2.gz YMMMZWYEPQOUOK-FQEVSTJZSA-N 1 3 339.487 2.549 50 0 EFAAHO CCN(C)C[C@@H]1C[N@H+](Cc2ccc3cc(OC)ccc3c2)C[C@@H]1CO ZINC000091691330 218048119 /nfs/dbraw/zinc/04/81/19/218048119.db2.gz YQOJNPSWLVCAML-WOJBJXKFSA-N 1 3 342.483 2.840 50 0 EFAAHO CCN(C)C[C@@H]1C[N@@H+](Cc2ccc3cc(OC)ccc3c2)C[C@@H]1CO ZINC000091691330 218048122 /nfs/dbraw/zinc/04/81/22/218048122.db2.gz YQOJNPSWLVCAML-WOJBJXKFSA-N 1 3 342.483 2.840 50 0 EFAAHO O=C([C@H]1CCC[NH2+]CC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000299786919 258093626 /nfs/dbraw/zinc/09/36/26/258093626.db2.gz YFWCBFLLUKRKDR-FQEVSTJZSA-N 1 3 343.515 2.543 50 0 EFAAHO CN1CCCN(Cc2ccccc2C(F)(F)F)CC12CC[NH2+]CC2 ZINC000097446965 277052159 /nfs/dbraw/zinc/05/21/59/277052159.db2.gz DTXQCHUIZQMUKY-UHFFFAOYSA-N 1 3 341.421 2.965 50 0 EFAAHO CN1CC[C@@H](N2CC3(CCC2=O)CC[NH+](Cc2ccsc2)CC3)C1 ZINC000095516440 473218037 /nfs/dbraw/zinc/21/80/37/473218037.db2.gz JHGXPDKUIZULGS-QGZVFWFLSA-N 1 3 347.528 2.657 50 0 EFAAHO CCC[NH+]1CCC(N2CCC[C@H](C(=O)N3CCCCCC3)C2)CC1 ZINC000000212638 471336104 /nfs/dbraw/zinc/33/61/04/471336104.db2.gz VBMZEGHPTUQKPQ-SFHVURJKSA-N 1 3 335.536 2.975 50 0 EFAAHO CC[C@H]1C[N@H+](CC2CCN(C)CC2)CCC(=O)N1Cc1ccccc1 ZINC000071745393 472556781 /nfs/dbraw/zinc/55/67/81/472556781.db2.gz VHQKLPALLBOTKU-FQEVSTJZSA-N 1 3 343.515 2.841 50 0 EFAAHO CC[C@H]1C[N@@H+](CC2CCN(C)CC2)CCC(=O)N1Cc1ccccc1 ZINC000071745393 472556785 /nfs/dbraw/zinc/55/67/85/472556785.db2.gz VHQKLPALLBOTKU-FQEVSTJZSA-N 1 3 343.515 2.841 50 0 EFAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000072148295 472630758 /nfs/dbraw/zinc/63/07/58/472630758.db2.gz DLEIXQFOQICNLT-AWEZNQCLSA-N 1 3 348.516 2.718 50 0 EFAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000072148295 472630762 /nfs/dbraw/zinc/63/07/62/472630762.db2.gz DLEIXQFOQICNLT-AWEZNQCLSA-N 1 3 348.516 2.718 50 0 EFAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C(C)(C)N)CC2)C1 ZINC000091365187 472760488 /nfs/dbraw/zinc/76/04/88/472760488.db2.gz NTRMEDNYACUBLZ-GOSISDBHSA-N 1 3 343.515 2.842 50 0 EFAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C(C)(C)N)CC2)C1 ZINC000091365187 472760493 /nfs/dbraw/zinc/76/04/93/472760493.db2.gz NTRMEDNYACUBLZ-GOSISDBHSA-N 1 3 343.515 2.842 50 0 EFAAHO [NH3+]C1CC(c2cc(N3CCN(C4CCCC4)CC3)nc(C3CC3)n2)C1 ZINC000223874050 474191806 /nfs/dbraw/zinc/19/18/06/474191806.db2.gz VWQUBNMXHBMRQV-UHFFFAOYSA-N 1 3 341.503 2.623 50 0 EFAAHO COc1ccc(CN2CCC[N@H+](C)C[C@H]2C)cc1CN1CCCC1 ZINC000216281199 545559384 /nfs/dbraw/zinc/55/93/84/545559384.db2.gz WJZTVUNWRSNRMV-QGZVFWFLSA-N 1 3 331.504 2.817 50 0 EFAAHO COc1ccc(CN2CCC[N@@H+](C)C[C@H]2C)cc1CN1CCCC1 ZINC000216281199 545559388 /nfs/dbraw/zinc/55/93/88/545559388.db2.gz WJZTVUNWRSNRMV-QGZVFWFLSA-N 1 3 331.504 2.817 50 0 EFAAHO CN(Cc1cnn(C)c1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012570280 1273493122 /nfs/dbraw/zinc/49/31/22/1273493122.db2.gz TWUZNMSRLRNQNU-UHFFFAOYSA-N 1 3 344.478 2.946 50 0 EFAAHO COCC[N@@H+]1CCC[C@H](CNCc2ccc3cc(O)ccc3c2)C1 ZINC000952985751 1284986188 /nfs/dbraw/zinc/98/61/88/1284986188.db2.gz CSCJQQOJGAAVHU-QGZVFWFLSA-N 1 3 328.456 2.993 50 0 EFAAHO COCC[N@H+]1CCC[C@H](CNCc2ccc3cc(O)ccc3c2)C1 ZINC000952985751 1284986196 /nfs/dbraw/zinc/98/61/96/1284986196.db2.gz CSCJQQOJGAAVHU-QGZVFWFLSA-N 1 3 328.456 2.993 50 0 EFAAHO CN(C)Cc1ccccc1CN(C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095375472 1292096506 /nfs/dbraw/zinc/09/65/06/1292096506.db2.gz JPISPWQCPMTKCL-IBGZPJMESA-N 1 3 331.504 2.971 50 0 EFAAHO CN(C)Cc1ccccc1CN(C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000095375472 1292096512 /nfs/dbraw/zinc/09/65/12/1292096512.db2.gz JPISPWQCPMTKCL-IBGZPJMESA-N 1 3 331.504 2.971 50 0 EFAAHO CC[NH+]1CCC(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 ZINC001704358453 1417915451 /nfs/dbraw/zinc/91/54/51/1417915451.db2.gz NBBWZTYHAGVXLP-UTKZUKDTSA-N 1 3 339.483 2.866 50 0 EFAAHO COc1ccc(C[NH+]2CCC([C@@H](C)N3CCOCC3)CC2)cc1C ZINC000072433035 216226379 /nfs/dbraw/zinc/22/63/79/216226379.db2.gz JESOJDXPMHHJET-QGZVFWFLSA-N 1 3 332.488 2.936 50 0 EFAAHO COc1ccc(C[NH+]2CCC([C@H](C)N3CCOCC3)CC2)cc1C ZINC000072433036 216227023 /nfs/dbraw/zinc/22/70/23/216227023.db2.gz JESOJDXPMHHJET-KRWDZBQOSA-N 1 3 332.488 2.936 50 0 EFAAHO Cc1ccc(C)c([C@H](C)NC(=O)CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000244774250 243078559 /nfs/dbraw/zinc/07/85/59/243078559.db2.gz PQOHWCKFMBXKQP-KRWDZBQOSA-N 1 3 329.488 2.556 50 0 EFAAHO C[NH+]1CCC(CCNC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000072117416 203163526 /nfs/dbraw/zinc/16/35/26/203163526.db2.gz IHLXMKSJAKLBCT-UHFFFAOYSA-N 1 3 343.515 2.747 50 0 EFAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1ccc(C)cc1)CC[NH+](C)CC2 ZINC000072435235 203224792 /nfs/dbraw/zinc/22/47/92/203224792.db2.gz LMZFWSAJKPNMGJ-LJQANCHMSA-N 1 3 343.515 2.808 50 0 EFAAHO C[C@@H](CNC(=O)C1CCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000072437018 203224884 /nfs/dbraw/zinc/22/48/84/203224884.db2.gz BMFCPPAZPLXHSJ-SFHVURJKSA-N 1 3 343.515 2.747 50 0 EFAAHO C[C@@H](C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1)N1CCCC1 ZINC000077322855 203379356 /nfs/dbraw/zinc/37/93/56/203379356.db2.gz DRHXULVGEOYPRL-SFHVURJKSA-N 1 3 343.515 2.841 50 0 EFAAHO Clc1ccc(N2CCN(C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1Cl ZINC000102835176 204051884 /nfs/dbraw/zinc/05/18/84/204051884.db2.gz DTPUBQPPEUNGNH-WDNDVIMCSA-N 1 3 326.271 2.581 50 0 EFAAHO NC1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1 ZINC000426361304 247267196 /nfs/dbraw/zinc/26/71/96/247267196.db2.gz QIKYCNIEOSCQCK-IBGZPJMESA-N 1 3 333.520 2.763 50 0 EFAAHO NC1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000426361304 247267200 /nfs/dbraw/zinc/26/72/00/247267200.db2.gz QIKYCNIEOSCQCK-IBGZPJMESA-N 1 3 333.520 2.763 50 0 EFAAHO CCOC(=O)[C@H]1CCCN(Cc2cccc(OC3CC[NH2+]CC3)c2)C1 ZINC000299766626 258081284 /nfs/dbraw/zinc/08/12/84/258081284.db2.gz DQXUKXJSHCKANF-KRWDZBQOSA-N 1 3 346.471 2.593 50 0 EFAAHO COc1cc2c(cc1OCCC[NH+]1CCCC1)NC(=N)C21CCC1 ZINC000095921314 473224653 /nfs/dbraw/zinc/22/46/53/473224653.db2.gz BKCDJTRMYWSXMC-UHFFFAOYSA-N 1 3 329.444 2.984 50 0 in-vitro EFAAHO COc1ccc(-n2ncc(CN3CCC4(C3)CC[NH2+]CC4)c2C)cc1 ZINC000067559327 472049806 /nfs/dbraw/zinc/04/98/06/472049806.db2.gz UZCMIHISFWACIU-UHFFFAOYSA-N 1 3 340.471 2.765 50 0 EFAAHO C[C@H](CNC(=O)C1CCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000063769917 472812745 /nfs/dbraw/zinc/81/27/45/472812745.db2.gz BMFCPPAZPLXHSJ-GOSISDBHSA-N 1 3 343.515 2.747 50 0 EFAAHO Cc1ccc(C2(CN(C)Cc3cccc(O)c3)CC[NH2+]CC2)nc1 ZINC000065371461 472927830 /nfs/dbraw/zinc/92/78/30/472927830.db2.gz GUCQTLJAHLRJRU-UHFFFAOYSA-N 1 3 325.456 2.849 50 0 EFAAHO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(-c2cc(N)ccn2)cc1 ZINC000426521196 477714344 /nfs/dbraw/zinc/71/43/44/477714344.db2.gz HYASAHLRNWTYRI-UHFFFAOYSA-N 1 3 326.444 2.648 50 0 EFAAHO O[C@@H]1CCCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)CC1 ZINC000670461072 547494156 /nfs/dbraw/zinc/49/41/56/547494156.db2.gz YOVOQGMYWBOVQU-LJQANCHMSA-N 1 3 332.488 2.898 50 0 EFAAHO O[C@H]1CCCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)CC1 ZINC000670461071 547494472 /nfs/dbraw/zinc/49/44/72/547494472.db2.gz YOVOQGMYWBOVQU-IBGZPJMESA-N 1 3 332.488 2.898 50 0 EFAAHO O=c1[nH]c2cc(Cl)ccc2cc1C[NH2+]CCCN1CCC[C@H](O)C1 ZINC000952984362 1284983076 /nfs/dbraw/zinc/98/30/76/1284983076.db2.gz ZXFHFHCZSZAZHE-INIZCTEOSA-N 1 3 349.862 2.530 50 0 EFAAHO OC[C@H]1CCCCN1CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055341921 214310375 /nfs/dbraw/zinc/31/03/75/214310375.db2.gz KARZKHGEZFXXTA-GOSISDBHSA-N 1 3 346.450 2.542 50 0 EFAAHO CCc1ccc(CN2CCC(C(=O)NCC[NH+](CC)CC)CC2)cc1 ZINC000004560047 210220315 /nfs/dbraw/zinc/22/03/15/210220315.db2.gz SGPRALNRGBCJOH-UHFFFAOYSA-N 1 3 345.531 2.919 50 0 EFAAHO NC1(C(=O)NCC[C@H]2CCC[N@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000067852393 215231304 /nfs/dbraw/zinc/23/13/04/215231304.db2.gz UZDCMWMLXYTMMM-OAHLLOKOSA-N 1 3 341.455 2.642 50 0 EFAAHO NC1(C(=O)NCC[C@H]2CCC[N@@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000067852393 215231307 /nfs/dbraw/zinc/23/13/07/215231307.db2.gz UZDCMWMLXYTMMM-OAHLLOKOSA-N 1 3 341.455 2.642 50 0 EFAAHO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C3(N)CCC3)C2)cc1C ZINC000067947114 215256580 /nfs/dbraw/zinc/25/65/80/215256580.db2.gz BBSMJSJOJIEBNM-SFHVURJKSA-N 1 3 329.488 2.513 50 0 EFAAHO Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C3(N)CCC3)C2)cc1C ZINC000067947114 215256582 /nfs/dbraw/zinc/25/65/82/215256582.db2.gz BBSMJSJOJIEBNM-SFHVURJKSA-N 1 3 329.488 2.513 50 0 EFAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000072151110 216039739 /nfs/dbraw/zinc/03/97/39/216039739.db2.gz PHDYNHDJJHRCCJ-LJQANCHMSA-N 1 3 345.531 2.839 50 0 EFAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000072151110 216039741 /nfs/dbraw/zinc/03/97/41/216039741.db2.gz PHDYNHDJJHRCCJ-LJQANCHMSA-N 1 3 345.531 2.839 50 0 EFAAHO CCCN1CC2(C[C@H]1C(=O)NCc1ccccc1C)CC[NH+](C)CC2 ZINC000072410853 216202272 /nfs/dbraw/zinc/20/22/72/216202272.db2.gz JWTHLSJMLPWOQB-IBGZPJMESA-N 1 3 343.515 2.808 50 0 EFAAHO CCCN1CC2(C[C@H]1C(=O)NCc1ccc(C)cc1)CC[NH+](C)CC2 ZINC000072435238 216229189 /nfs/dbraw/zinc/22/91/89/216229189.db2.gz LMZFWSAJKPNMGJ-IBGZPJMESA-N 1 3 343.515 2.808 50 0 EFAAHO C[NH+](C)CCOc1ccccc1CN1CCC(Cn2ccnc2)CC1 ZINC000215644610 241137554 /nfs/dbraw/zinc/13/75/54/241137554.db2.gz LVJJYOLNPYOSBC-UHFFFAOYSA-N 1 3 342.487 2.736 50 0 EFAAHO COc1ccc(CN2CCC[C@@H](N(C)CCC[NH+](C)C)C2)c(F)c1 ZINC000020869180 212180259 /nfs/dbraw/zinc/18/02/59/212180259.db2.gz CHFFWSZTXRMNRO-QGZVFWFLSA-N 1 3 337.483 2.682 50 0 EFAAHO COc1ccc(CN2CCC[C@@H]([N@H+](C)CCCN(C)C)C2)c(F)c1 ZINC000020869180 212180262 /nfs/dbraw/zinc/18/02/62/212180262.db2.gz CHFFWSZTXRMNRO-QGZVFWFLSA-N 1 3 337.483 2.682 50 0 EFAAHO COc1ccc(CN2CCC[C@@H]([N@@H+](C)CCCN(C)C)C2)c(F)c1 ZINC000020869180 212180265 /nfs/dbraw/zinc/18/02/65/212180265.db2.gz CHFFWSZTXRMNRO-QGZVFWFLSA-N 1 3 337.483 2.682 50 0 EFAAHO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C3CCCCC3)CC2)C1 ZINC000011951773 211274812 /nfs/dbraw/zinc/27/48/12/211274812.db2.gz OQZOEXRWOKWOSR-MRXNPFEDSA-N 1 3 333.520 2.774 50 0 EFAAHO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C3CCCCC3)CC2)C1 ZINC000011951773 211274815 /nfs/dbraw/zinc/27/48/15/211274815.db2.gz OQZOEXRWOKWOSR-MRXNPFEDSA-N 1 3 333.520 2.774 50 0 EFAAHO CCCN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1OCC[NH+](C)C)C2 ZINC000095369003 218302019 /nfs/dbraw/zinc/30/20/19/218302019.db2.gz XDFFKIPTMPFUDG-AZUAARDMSA-N 1 3 345.531 2.933 50 0 EFAAHO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2CN2CCCCC2)C1 ZINC000299778904 258088588 /nfs/dbraw/zinc/08/85/88/258088588.db2.gz PCNVCSDMGHEFJI-KRWDZBQOSA-N 1 3 330.476 2.840 50 0 EFAAHO CCOC(=O)[C@@H]1CCCN(Cc2cccc(OC3CC[NH2+]CC3)c2)C1 ZINC000299766631 258081274 /nfs/dbraw/zinc/08/12/74/258081274.db2.gz DQXUKXJSHCKANF-QGZVFWFLSA-N 1 3 346.471 2.593 50 0 EFAAHO Cc1ccc2[nH]c(=O)c(C[N@@H+]3CCCN(c4ccncc4)CC3)cc2c1 ZINC000067947225 472113749 /nfs/dbraw/zinc/11/37/49/472113749.db2.gz CSNGPVLGGBFVTR-UHFFFAOYSA-N 1 3 348.450 2.944 50 0 EFAAHO Cc1ccc2[nH]c(=O)c(C[N@H+]3CCCN(c4ccncc4)CC3)cc2c1 ZINC000067947225 472113752 /nfs/dbraw/zinc/11/37/52/472113752.db2.gz CSNGPVLGGBFVTR-UHFFFAOYSA-N 1 3 348.450 2.944 50 0 EFAAHO CC(C)[C@H]1CN(C(=O)CCC[NH3+])CCCN1Cc1ccc(F)cc1 ZINC000071745599 472556669 /nfs/dbraw/zinc/55/66/69/472556669.db2.gz VGUVPIIXIRPHNG-GOSISDBHSA-N 1 3 335.467 2.624 50 0 EFAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C(C)(C)N)CC2)C1 ZINC000091365188 472760672 /nfs/dbraw/zinc/76/06/72/472760672.db2.gz NTRMEDNYACUBLZ-SFHVURJKSA-N 1 3 343.515 2.842 50 0 EFAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C(C)(C)N)CC2)C1 ZINC000091365188 472760677 /nfs/dbraw/zinc/76/06/77/472760677.db2.gz NTRMEDNYACUBLZ-SFHVURJKSA-N 1 3 343.515 2.842 50 0 EFAAHO OCC1(C[NH+]2CCCC2)CCN(c2ccnc3ccccc32)CC1 ZINC000220557431 474156507 /nfs/dbraw/zinc/15/65/07/474156507.db2.gz SRKRBCUSFNQMGE-UHFFFAOYSA-N 1 3 325.456 2.910 50 0 EFAAHO C[N@@H+]1CCCC[C@H]1CC(=O)NCCN1CCC(c2ccccc2)CC1 ZINC000426726709 477744248 /nfs/dbraw/zinc/74/42/48/477744248.db2.gz GCFHCPVPGPASOI-FQEVSTJZSA-N 1 3 343.515 2.857 50 0 EFAAHO C[N@H+]1CCCC[C@H]1CC(=O)NCCN1CCC(c2ccccc2)CC1 ZINC000426726709 477744252 /nfs/dbraw/zinc/74/42/52/477744252.db2.gz GCFHCPVPGPASOI-FQEVSTJZSA-N 1 3 343.515 2.857 50 0 EFAAHO Cc1cc(N)nc(C)c1-c1ccc(C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000534590904 478160769 /nfs/dbraw/zinc/16/07/69/478160769.db2.gz OFYNXAQJNZPLOM-UHFFFAOYSA-N 1 3 338.455 2.677 50 0 EFAAHO CCCCc1cn(C2CCN(C[C@H]3CCC[N@H+](CC)C3)CC2)nn1 ZINC000055242129 214294456 /nfs/dbraw/zinc/29/44/56/214294456.db2.gz KURVRMQKIUFASA-KRWDZBQOSA-N 1 3 333.524 2.990 50 0 EFAAHO CCCCc1cn(C2CCN(C[C@H]3CCC[N@@H+](CC)C3)CC2)nn1 ZINC000055242129 214294460 /nfs/dbraw/zinc/29/44/60/214294460.db2.gz KURVRMQKIUFASA-KRWDZBQOSA-N 1 3 333.524 2.990 50 0 EFAAHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000004675494 210243252 /nfs/dbraw/zinc/24/32/52/210243252.db2.gz DJPLGULSVNCRPQ-UHFFFAOYSA-N 1 3 349.494 2.742 50 0 EFAAHO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3(N)CCC3)C2)cc1 ZINC000067675075 215181916 /nfs/dbraw/zinc/18/19/16/215181916.db2.gz OFDJCNWRRTWMOL-KRWDZBQOSA-N 1 3 329.488 2.630 50 0 EFAAHO CC(C)c1ccc(C[N@H+]2CC[C@@H](CNC(=O)C3(N)CCC3)C2)cc1 ZINC000067675075 215181920 /nfs/dbraw/zinc/18/19/20/215181920.db2.gz OFDJCNWRRTWMOL-KRWDZBQOSA-N 1 3 329.488 2.630 50 0 EFAAHO O[C@@]1(CNCCc2c[nH]c3ccccc23)CCC[N@@H+]2CCCC[C@@H]21 ZINC000067947560 215255618 /nfs/dbraw/zinc/25/56/18/215255618.db2.gz QFIOFJHONUSTIG-WOJBJXKFSA-N 1 3 327.472 2.679 50 0 EFAAHO O[C@@]1(CNCCc2c[nH]c3ccccc23)CCC[N@H+]2CCCC[C@@H]21 ZINC000067947560 215255622 /nfs/dbraw/zinc/25/56/22/215255622.db2.gz QFIOFJHONUSTIG-WOJBJXKFSA-N 1 3 327.472 2.679 50 0 EFAAHO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072409662 216200761 /nfs/dbraw/zinc/20/07/61/216200761.db2.gz AFEGJICINCYRKS-NRFANRHFSA-N 1 3 348.531 2.669 50 0 EFAAHO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072409661 216201115 /nfs/dbraw/zinc/20/11/15/216201115.db2.gz AFEGJICINCYRKS-OAQYLSRUSA-N 1 3 348.531 2.669 50 0 EFAAHO COc1cc(CN2CCC[C@H](N(C)CCC[NH+](C)C)C2)ccc1F ZINC000023359030 212370979 /nfs/dbraw/zinc/37/09/79/212370979.db2.gz MUTZWEYDIQCRFR-KRWDZBQOSA-N 1 3 337.483 2.682 50 0 EFAAHO COc1cc(CN2CCC[C@H]([N@H+](C)CCCN(C)C)C2)ccc1F ZINC000023359030 212370981 /nfs/dbraw/zinc/37/09/81/212370981.db2.gz MUTZWEYDIQCRFR-KRWDZBQOSA-N 1 3 337.483 2.682 50 0 EFAAHO COc1cc(CN2CCC[C@H]([N@@H+](C)CCCN(C)C)C2)ccc1F ZINC000023359030 212370987 /nfs/dbraw/zinc/37/09/87/212370987.db2.gz MUTZWEYDIQCRFR-KRWDZBQOSA-N 1 3 337.483 2.682 50 0 EFAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC000020454239 212131959 /nfs/dbraw/zinc/13/19/59/212131959.db2.gz ZHAGKFLZJDBQOL-KRWDZBQOSA-N 1 3 343.471 2.921 50 0 EFAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC000020454239 212131961 /nfs/dbraw/zinc/13/19/61/212131961.db2.gz ZHAGKFLZJDBQOL-KRWDZBQOSA-N 1 3 343.471 2.921 50 0 EFAAHO COc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OC ZINC000057387110 472423825 /nfs/dbraw/zinc/42/38/25/472423825.db2.gz BYXQMAUDYMLJHQ-UHFFFAOYSA-N 1 3 331.254 2.508 50 0 EFAAHO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CN2CCC2)cc1 ZINC000095508409 473216629 /nfs/dbraw/zinc/21/66/29/473216629.db2.gz OLQRCSSVJRRHRB-FQEVSTJZSA-N 1 3 340.467 2.764 50 0 EFAAHO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CN2CCC2)cc1 ZINC000095508409 473216634 /nfs/dbraw/zinc/21/66/34/473216634.db2.gz OLQRCSSVJRRHRB-FQEVSTJZSA-N 1 3 340.467 2.764 50 0 EFAAHO N[C@H](CC(=O)N1CCC[N@@H+](C2CCCCC2)CC1)c1ccccc1 ZINC000082121756 473291923 /nfs/dbraw/zinc/29/19/23/473291923.db2.gz MHVNXPSAJKPUJN-LJQANCHMSA-N 1 3 329.488 2.944 50 0 EFAAHO N[C@H](CC(=O)N1CCC[N@H+](C2CCCCC2)CC1)c1ccccc1 ZINC000082121756 473291933 /nfs/dbraw/zinc/29/19/33/473291933.db2.gz MHVNXPSAJKPUJN-LJQANCHMSA-N 1 3 329.488 2.944 50 0 EFAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000012573636 471783317 /nfs/dbraw/zinc/78/33/17/471783317.db2.gz ACCYUCOGBPVYDW-QGZVFWFLSA-N 1 3 337.895 2.828 50 0 EFAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000012573636 471783320 /nfs/dbraw/zinc/78/33/20/471783320.db2.gz ACCYUCOGBPVYDW-QGZVFWFLSA-N 1 3 337.895 2.828 50 0 EFAAHO C[C@H](C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1)N1CCCC1 ZINC000077322857 472502751 /nfs/dbraw/zinc/50/27/51/472502751.db2.gz DRHXULVGEOYPRL-GOSISDBHSA-N 1 3 343.515 2.841 50 0 EFAAHO Cc1c[nH+]ccc1N1CCCN(Cc2cnn(C)c2C2CC2)CC1 ZINC000077436339 472526445 /nfs/dbraw/zinc/52/64/45/472526445.db2.gz CDNHUFRZMYSGCK-UHFFFAOYSA-N 1 3 325.460 2.713 50 0 EFAAHO C1CCC([NH+]2CCC(N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCCC3)CC2)C1 ZINC000223273604 474182114 /nfs/dbraw/zinc/18/21/14/474182114.db2.gz NSYLWNLWFZWGDF-PLACYPQZSA-N 1 3 347.547 2.625 50 0 EFAAHO C1CCC(N2CCC([NH2+][C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCCC3)CC2)C1 ZINC000223273604 474182121 /nfs/dbraw/zinc/18/21/21/474182121.db2.gz NSYLWNLWFZWGDF-PLACYPQZSA-N 1 3 347.547 2.625 50 0 EFAAHO CN(C)[C@H]1CCC[N@H+](CCC(=O)NCc2cccc(Cl)c2)CC1 ZINC000244659881 536137846 /nfs/dbraw/zinc/13/78/46/536137846.db2.gz HKKLJAHJVKUSHS-KRWDZBQOSA-N 1 3 337.895 2.762 50 0 EFAAHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)NCc2cccc(Cl)c2)CC1 ZINC000244659881 536137850 /nfs/dbraw/zinc/13/78/50/536137850.db2.gz HKKLJAHJVKUSHS-KRWDZBQOSA-N 1 3 337.895 2.762 50 0 EFAAHO O=C(NCCNC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1Cl ZINC000055042497 214266363 /nfs/dbraw/zinc/26/63/63/214266363.db2.gz PUNOTNQZMGOGDZ-MAUKXSAKSA-N 1 3 349.906 2.924 50 0 EFAAHO O=C(NCCNC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1Cl ZINC000055042497 214266365 /nfs/dbraw/zinc/26/63/65/214266365.db2.gz PUNOTNQZMGOGDZ-MAUKXSAKSA-N 1 3 349.906 2.924 50 0 EFAAHO CCCN1CC2(C[C@@H]1C(=O)NCCc1cccs1)CC[NH+](C)CC2 ZINC000072468954 216249001 /nfs/dbraw/zinc/24/90/01/216249001.db2.gz CQQDUJNKCFRRKK-QGZVFWFLSA-N 1 3 349.544 2.603 50 0 EFAAHO CN1CCC(N(Cc2cccnc2)Cc2cccc(CC[NH3+])c2)CC1 ZINC000072478144 216256454 /nfs/dbraw/zinc/25/64/54/216256454.db2.gz AVPAPALSESXISJ-UHFFFAOYSA-N 1 3 338.499 2.679 50 0 EFAAHO [NH3+][C@@H]1CCCN(Cc2ccc(OCCCn3ccnc3)cc2)CC1 ZINC000097425747 219023646 /nfs/dbraw/zinc/02/36/46/219023646.db2.gz FBEOKGNDRDPHDW-GOSISDBHSA-N 1 3 328.460 2.665 50 0 EFAAHO N=C1Nc2nc3ccccc3n2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000004037356 274943024 /nfs/dbraw/zinc/94/30/24/274943024.db2.gz NOBBCCRPBZATBL-UHFFFAOYSA-N 1 3 346.438 2.725 50 0 EFAAHO O=C1CCC2(CC[NH2+]CC2)CN1[C@H]1CCCN(Cc2ccccc2)C1 ZINC000091746374 280250026 /nfs/dbraw/zinc/25/00/26/280250026.db2.gz DKMXYAVRGSCPOL-IBGZPJMESA-N 1 3 341.499 2.643 50 0 EFAAHO Cc1ccccc1[C@H](CN1CC2(CC[NH2+]CC2)CCC1=O)N(C)C ZINC000091645270 302183589 /nfs/dbraw/zinc/18/35/89/302183589.db2.gz PRIKAWFHTZYVHP-SFHVURJKSA-N 1 3 329.488 2.590 50 0 EFAAHO Cc1cc(N2CCC(N3C[C@@H]4CCC[NH2+][C@@H]4C3)CC2)nc(C(C)C)n1 ZINC000095510854 473216496 /nfs/dbraw/zinc/21/64/96/473216496.db2.gz BGVQYMOWULPXGJ-FUHWJXTLSA-N 1 3 343.519 2.561 50 0 EFAAHO Cc1cc(N2CCC([N@@H+]3C[C@@H]4CCCN[C@@H]4C3)CC2)nc(C(C)C)n1 ZINC000095510854 473216500 /nfs/dbraw/zinc/21/65/00/473216500.db2.gz BGVQYMOWULPXGJ-FUHWJXTLSA-N 1 3 343.519 2.561 50 0 EFAAHO Cc1cc(N2CCC([N@H+]3C[C@@H]4CCCN[C@@H]4C3)CC2)nc(C(C)C)n1 ZINC000095510854 473216503 /nfs/dbraw/zinc/21/65/03/473216503.db2.gz BGVQYMOWULPXGJ-FUHWJXTLSA-N 1 3 343.519 2.561 50 0 EFAAHO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CN2CCC2)cc1 ZINC000095508410 473217245 /nfs/dbraw/zinc/21/72/45/473217245.db2.gz OLQRCSSVJRRHRB-HXUWFJFHSA-N 1 3 340.467 2.764 50 0 EFAAHO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CN2CCC2)cc1 ZINC000095508410 473217247 /nfs/dbraw/zinc/21/72/47/473217247.db2.gz OLQRCSSVJRRHRB-HXUWFJFHSA-N 1 3 340.467 2.764 50 0 EFAAHO CN1CCC(Cc2nc([C@@H]3CC[NH2+]C3)n(CC3CCCCC3)n2)CC1 ZINC000096154026 473316498 /nfs/dbraw/zinc/31/64/98/473316498.db2.gz RDTVKFLZOOHVLZ-GOSISDBHSA-N 1 3 345.535 2.820 50 0 EFAAHO C[NH+](C)CCCNC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002459141 471408331 /nfs/dbraw/zinc/40/83/31/471408331.db2.gz NCGVVYRUGRNHOI-MRXNPFEDSA-N 1 3 325.456 2.697 50 0 EFAAHO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)CC(C)(C)CO)C2)cc1 ZINC000012710470 471789942 /nfs/dbraw/zinc/78/99/42/471789942.db2.gz HBWDBYPNZDGHAO-LJQANCHMSA-N 1 3 348.531 2.900 50 0 EFAAHO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)CC(C)(C)CO)C2)cc1 ZINC000012710470 471789945 /nfs/dbraw/zinc/78/99/45/471789945.db2.gz HBWDBYPNZDGHAO-LJQANCHMSA-N 1 3 348.531 2.900 50 0 EFAAHO Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CCCN(C)C)C2)cc1C ZINC000012702072 471789997 /nfs/dbraw/zinc/78/99/97/471789997.db2.gz IKYJZKGZHFYMTM-IBGZPJMESA-N 1 3 331.504 2.792 50 0 EFAAHO Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CCCN(C)C)C2)cc1C ZINC000012702072 471790001 /nfs/dbraw/zinc/79/00/01/471790001.db2.gz IKYJZKGZHFYMTM-IBGZPJMESA-N 1 3 331.504 2.792 50 0 EFAAHO c1cc(O[C@@]23CCN(C2)CCC3)ccc1C[NH2+]CC1CCOCC1 ZINC000067446990 472034509 /nfs/dbraw/zinc/03/45/09/472034509.db2.gz CVGDQKAGTGCDLB-FQEVSTJZSA-N 1 3 330.472 2.820 50 0 EFAAHO CC(=O)NCC1CCN(Cc2cc(C[NH+]3CCCC3)cs2)CC1 ZINC000077297948 472496205 /nfs/dbraw/zinc/49/62/05/472496205.db2.gz YIRLLZALCABLJO-UHFFFAOYSA-N 1 3 335.517 2.692 50 0 EFAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000072148294 472631315 /nfs/dbraw/zinc/63/13/15/472631315.db2.gz DLEIXQFOQICNLT-CQSZACIVSA-N 1 3 348.516 2.718 50 0 EFAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000072148294 472631322 /nfs/dbraw/zinc/63/13/22/472631322.db2.gz DLEIXQFOQICNLT-CQSZACIVSA-N 1 3 348.516 2.718 50 0 EFAAHO O=c1[nH]c2cc(Cl)ccc2cc1C[NH2+]CCCN1CCC[C@@H](O)C1 ZINC000952984363 1284982455 /nfs/dbraw/zinc/98/24/55/1284982455.db2.gz ZXFHFHCZSZAZHE-MRXNPFEDSA-N 1 3 349.862 2.530 50 0 EFAAHO CN1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2ccsc2)CC3)CC1 ZINC000014989524 1311428853 /nfs/dbraw/zinc/42/88/53/1311428853.db2.gz OKFIXYPPJFKPEC-QGZVFWFLSA-N 1 3 347.528 2.514 50 0 EFAAHO CN1CCCN(C(=O)[C@@H]2CC23CC[NH+](Cc2ccsc2)CC3)CC1 ZINC000014989523 1311428965 /nfs/dbraw/zinc/42/89/65/1311428965.db2.gz OKFIXYPPJFKPEC-KRWDZBQOSA-N 1 3 347.528 2.514 50 0 EFAAHO CSCC[N@H+](C)Cc1cc(C)cc(CN2CCN(C)CC2)c1C ZINC000216319171 241182951 /nfs/dbraw/zinc/18/29/51/241182951.db2.gz XKFMERWEVVSVCW-UHFFFAOYSA-N 1 3 335.561 2.846 50 0 EFAAHO CSCC[N@@H+](C)Cc1cc(C)cc(CN2CCN(C)CC2)c1C ZINC000216319171 241182959 /nfs/dbraw/zinc/18/29/59/241182959.db2.gz XKFMERWEVVSVCW-UHFFFAOYSA-N 1 3 335.561 2.846 50 0 EFAAHO Cc1ccc(C2(O)CCN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)nc1 ZINC000072167751 203179998 /nfs/dbraw/zinc/17/99/98/203179998.db2.gz PEYATTLGVIMODS-RBUKOAKNSA-N 1 3 343.515 2.938 50 0 EFAAHO Cc1ccc(C2(O)CCN(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)nc1 ZINC000072167751 203180000 /nfs/dbraw/zinc/18/00/00/203180000.db2.gz PEYATTLGVIMODS-RBUKOAKNSA-N 1 3 343.515 2.938 50 0 EFAAHO CCCN1CC2(C[C@H]1C(=O)NCc1ccccc1F)CC[NH+](C)CC2 ZINC000072454056 203226923 /nfs/dbraw/zinc/22/69/23/203226923.db2.gz FCOJIAJRTMEJAW-SFHVURJKSA-N 1 3 347.478 2.638 50 0 EFAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1ccc(F)cc1)CC[NH+](C)CC2 ZINC000072411488 203218076 /nfs/dbraw/zinc/21/80/76/203218076.db2.gz OHIZIQXYDNVRKV-GOSISDBHSA-N 1 3 347.478 2.638 50 0 EFAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1ccc(C)s1)CC[NH+](C)CC2 ZINC000072436116 203224417 /nfs/dbraw/zinc/22/44/17/203224417.db2.gz INBKBNKIEMLWMT-QGZVFWFLSA-N 1 3 349.544 2.869 50 0 EFAAHO Cc1ccccc1[C@@H](CN1CC2(CC[NH2+]CC2)CCC1=O)N(C)C ZINC000091645269 302126536 /nfs/dbraw/zinc/12/65/36/302126536.db2.gz PRIKAWFHTZYVHP-GOSISDBHSA-N 1 3 329.488 2.590 50 0 EFAAHO Cc1c(C)n(CC[NH+](C)C)c2ccc(C(=O)OCCN(C)C)cc12 ZINC000000000919 471317065 /nfs/dbraw/zinc/31/70/65/471317065.db2.gz LOCIGFDPZFJXFT-UHFFFAOYSA-N 1 3 331.460 2.538 50 0 in-man EFAAHO CCC[NH+]1CCC(N2CCC[C@@H](C(=O)N3CCCCCC3)C2)CC1 ZINC000000212627 471335941 /nfs/dbraw/zinc/33/59/41/471335941.db2.gz VBMZEGHPTUQKPQ-GOSISDBHSA-N 1 3 335.536 2.975 50 0 EFAAHO C[NH+](C)CCCNC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002459140 471408278 /nfs/dbraw/zinc/40/82/78/471408278.db2.gz NCGVVYRUGRNHOI-INIZCTEOSA-N 1 3 325.456 2.697 50 0 EFAAHO Cc1cc(N2CCC([NH2+][C@@H](C)Cc3ccsc3)CC2)nc(N)n1 ZINC000095379018 473193484 /nfs/dbraw/zinc/19/34/84/473193484.db2.gz YKTXUGGZAKJZMN-LBPRGKRZSA-N 1 3 331.489 2.618 50 0 EFAAHO c1ccc(O[C@@H]2COCC[C@H]2[NH2+]C2CCN(C3CCCC3)CC2)nc1 ZINC000223062994 474178551 /nfs/dbraw/zinc/17/85/51/474178551.db2.gz GQWBTQMAMMSOMJ-RTBURBONSA-N 1 3 345.487 2.615 50 0 EFAAHO c1cc(CN2CCC3(CC2)C[N@@H+](C2CCSCC2)CCO3)ccn1 ZINC000828937456 1268002261 /nfs/dbraw/zinc/00/22/61/1268002261.db2.gz BRQLURSNLKAGSS-UHFFFAOYSA-N 1 3 347.528 2.644 50 0 EFAAHO c1cc(CN2CCC3(CC2)C[N@H+](C2CCSCC2)CCO3)ccn1 ZINC000828937456 1268002275 /nfs/dbraw/zinc/00/22/75/1268002275.db2.gz BRQLURSNLKAGSS-UHFFFAOYSA-N 1 3 347.528 2.644 50 0 EFAAHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000952873730 1284898866 /nfs/dbraw/zinc/89/88/66/1284898866.db2.gz ZFDFAPUCXFAZLR-HNNXBMFYSA-N 1 3 338.411 2.890 50 0 EFAAHO COCC[N@@H+]1CCC[C@@H](CNCc2ccc3cc(O)ccc3c2)C1 ZINC000952985744 1284985191 /nfs/dbraw/zinc/98/51/91/1284985191.db2.gz CSCJQQOJGAAVHU-KRWDZBQOSA-N 1 3 328.456 2.993 50 0 EFAAHO COCC[N@H+]1CCC[C@@H](CNCc2ccc3cc(O)ccc3c2)C1 ZINC000952985744 1284985202 /nfs/dbraw/zinc/98/52/02/1284985202.db2.gz CSCJQQOJGAAVHU-KRWDZBQOSA-N 1 3 328.456 2.993 50 0 EFAAHO CCCCc1cn(C2CCN(C[C@@H]3CCC[N@H+](CC)C3)CC2)nn1 ZINC000055242126 214294003 /nfs/dbraw/zinc/29/40/03/214294003.db2.gz KURVRMQKIUFASA-QGZVFWFLSA-N 1 3 333.524 2.990 50 0 EFAAHO CCCCc1cn(C2CCN(C[C@@H]3CCC[N@@H+](CC)C3)CC2)nn1 ZINC000055242126 214294005 /nfs/dbraw/zinc/29/40/05/214294005.db2.gz KURVRMQKIUFASA-QGZVFWFLSA-N 1 3 333.524 2.990 50 0 EFAAHO OC[C@@H]1CCCCN1CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055341924 214310437 /nfs/dbraw/zinc/31/04/37/214310437.db2.gz KARZKHGEZFXXTA-SFHVURJKSA-N 1 3 346.450 2.542 50 0 EFAAHO CCCN1CC2(C[C@H]1C(=O)NCc1ccsc1)CC[NH+](C)CC2 ZINC000072473663 216250541 /nfs/dbraw/zinc/25/05/41/216250541.db2.gz YNDQEQXNYYMWCX-INIZCTEOSA-N 1 3 335.517 2.561 50 0 EFAAHO CC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012373447 211359422 /nfs/dbraw/zinc/35/94/22/211359422.db2.gz CJQCJHAGRMBOSN-LJQANCHMSA-N 1 3 335.536 2.975 50 0 EFAAHO CC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012373447 211359425 /nfs/dbraw/zinc/35/94/25/211359425.db2.gz CJQCJHAGRMBOSN-LJQANCHMSA-N 1 3 335.536 2.975 50 0 EFAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCC(=O)NC)CC2)C1 ZINC000092077028 218115851 /nfs/dbraw/zinc/11/58/51/218115851.db2.gz BPNKZWNKOSJHSP-IBGZPJMESA-N 1 3 343.515 2.714 50 0 EFAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCC(=O)NC)CC2)C1 ZINC000092077028 218115853 /nfs/dbraw/zinc/11/58/53/218115853.db2.gz BPNKZWNKOSJHSP-IBGZPJMESA-N 1 3 343.515 2.714 50 0 EFAAHO O=C(NCCC[NH+]1CCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000010450184 211174034 /nfs/dbraw/zinc/17/40/34/211174034.db2.gz ZNKBEOUBMGMXDC-UHFFFAOYSA-N 1 3 329.488 2.888 50 0 EFAAHO CN(Cc1cccs1)Cc1cccc(OCCN2CC[NH2+]CC2)c1 ZINC000299772120 258084210 /nfs/dbraw/zinc/08/42/10/258084210.db2.gz YMFMFFRROUFBCP-UHFFFAOYSA-N 1 3 345.512 2.664 50 0 EFAAHO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2CN2CCCCC2)C1 ZINC000299778908 258088386 /nfs/dbraw/zinc/08/83/86/258088386.db2.gz PCNVCSDMGHEFJI-QGZVFWFLSA-N 1 3 330.476 2.840 50 0 EFAAHO N[C@@H](CC(=O)N1CCC[N@@H+](C2CCCCC2)CC1)c1ccccc1 ZINC000082121757 473292113 /nfs/dbraw/zinc/29/21/13/473292113.db2.gz MHVNXPSAJKPUJN-IBGZPJMESA-N 1 3 329.488 2.944 50 0 EFAAHO N[C@@H](CC(=O)N1CCC[N@H+](C2CCCCC2)CC1)c1ccccc1 ZINC000082121757 473292122 /nfs/dbraw/zinc/29/21/22/473292122.db2.gz MHVNXPSAJKPUJN-IBGZPJMESA-N 1 3 329.488 2.944 50 0 EFAAHO N=C1NC(=[NH2+])N(CCc2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)N1 ZINC000006819928 471572113 /nfs/dbraw/zinc/57/21/13/471572113.db2.gz RPKVMNWWHQCISS-HNNXBMFYSA-N 1 3 345.809 2.665 50 0 EFAAHO CC(C)[C@@H]1CN(C(=O)CCC[NH3+])CCCN1Cc1ccc(F)cc1 ZINC000071745598 472556960 /nfs/dbraw/zinc/55/69/60/472556960.db2.gz VGUVPIIXIRPHNG-SFHVURJKSA-N 1 3 335.467 2.624 50 0 EFAAHO [NH3+]C[C@@H]1CCCCN1Cc1cccc(OCCN2CCCCC2)c1 ZINC000215654934 474138427 /nfs/dbraw/zinc/13/84/27/474138427.db2.gz CDRUTSJXNLKVKN-IBGZPJMESA-N 1 3 331.504 2.865 50 0 EFAAHO [NH3+]C[C@H]1CCCCN1Cc1ccccc1OCCN1CCCCC1 ZINC000215070974 474139112 /nfs/dbraw/zinc/13/91/12/474139112.db2.gz MKWVHMCDHBRIAW-LJQANCHMSA-N 1 3 331.504 2.865 50 0 EFAAHO C[N@@H+]1CCCC[C@@H]1CC(=O)NCCN1CCC(c2ccccc2)CC1 ZINC000426726710 477743361 /nfs/dbraw/zinc/74/33/61/477743361.db2.gz GCFHCPVPGPASOI-HXUWFJFHSA-N 1 3 343.515 2.857 50 0 EFAAHO C[N@H+]1CCCC[C@@H]1CC(=O)NCCN1CCC(c2ccccc2)CC1 ZINC000426726710 477743367 /nfs/dbraw/zinc/74/33/67/477743367.db2.gz GCFHCPVPGPASOI-HXUWFJFHSA-N 1 3 343.515 2.857 50 0 EFAAHO C[NH+](C)Cc1csc(CN2CCC(O)(c3cccnc3)CC2)c1 ZINC000215987544 536060158 /nfs/dbraw/zinc/06/01/58/536060158.db2.gz KOPSBDRUQBXPKY-UHFFFAOYSA-N 1 3 331.485 2.688 50 0 EFAAHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)N1CCOCC1 ZINC000215160622 536434481 /nfs/dbraw/zinc/43/44/81/536434481.db2.gz ZWYAKSNNZKQWON-FQEVSTJZSA-N 1 3 345.531 2.551 50 0 EFAAHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)N1CCOCC1 ZINC000215160622 536434483 /nfs/dbraw/zinc/43/44/83/536434483.db2.gz ZWYAKSNNZKQWON-FQEVSTJZSA-N 1 3 345.531 2.551 50 0 EFAAHO CC(=O)Nc1ccc2nc(CNCCNc3cc[nH+]cc3C)ccc2c1 ZINC000952982441 1284978900 /nfs/dbraw/zinc/97/89/00/1284978900.db2.gz HDDPHIJXRQUBAH-UHFFFAOYSA-N 1 3 349.438 2.520 50 0 EFAAHO CN1CCC(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000067338958 215135087 /nfs/dbraw/zinc/13/50/87/215135087.db2.gz WTHSMLOWHLTWRH-UHFFFAOYSA-N 1 3 329.488 2.887 50 0 EFAAHO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3(N)CCCC3)C2)cc1C ZINC000067726103 215196424 /nfs/dbraw/zinc/19/64/24/215196424.db2.gz DCZSVLPEUVSDEA-GOSISDBHSA-N 1 3 329.488 2.513 50 0 EFAAHO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)C3(N)CCCC3)C2)cc1C ZINC000067726103 215196427 /nfs/dbraw/zinc/19/64/27/215196427.db2.gz DCZSVLPEUVSDEA-GOSISDBHSA-N 1 3 329.488 2.513 50 0 EFAAHO CCN(Cc1cc(=O)n2c3c(cccc13)CCC2)C[C@H]1CC[N@H+](C)C1 ZINC000067788550 215213883 /nfs/dbraw/zinc/21/38/83/215213883.db2.gz AYBPXKIKPMHREL-INIZCTEOSA-N 1 3 339.483 2.721 50 0 EFAAHO CCN(Cc1cc(=O)n2c3c(cccc13)CCC2)C[C@H]1CC[N@@H+](C)C1 ZINC000067788550 215213885 /nfs/dbraw/zinc/21/38/85/215213885.db2.gz AYBPXKIKPMHREL-INIZCTEOSA-N 1 3 339.483 2.721 50 0 EFAAHO C[N@H+](Cc1ccc(O[C@@]23CCN(C2)CCC3)cc1)CC1(C)COC1 ZINC000067982088 215266839 /nfs/dbraw/zinc/26/68/39/215266839.db2.gz AIHFIOPMEHVLRW-FQEVSTJZSA-N 1 3 330.472 2.772 50 0 EFAAHO C[N@@H+](Cc1ccc(O[C@@]23CCN(C2)CCC3)cc1)CC1(C)COC1 ZINC000067982088 215266842 /nfs/dbraw/zinc/26/68/42/215266842.db2.gz AIHFIOPMEHVLRW-FQEVSTJZSA-N 1 3 330.472 2.772 50 0 EFAAHO c1cc(C[C@@H]2CC[C@H](CN3CCCOCC3)O2)ccc1C[NH2+]C1CC1 ZINC000072422507 216211629 /nfs/dbraw/zinc/21/16/29/216211629.db2.gz DBUKLLUQUAUCRZ-LEWJYISDSA-N 1 3 344.499 2.751 50 0 EFAAHO CN1CCC(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)(c2ccccc2)CC1 ZINC000072428214 216219687 /nfs/dbraw/zinc/21/96/87/216219687.db2.gz NBHHQKQGIRXRTQ-LJQANCHMSA-N 1 3 343.515 2.593 50 0 EFAAHO CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072474901 216252560 /nfs/dbraw/zinc/25/25/60/216252560.db2.gz AKGCUXPKBGLHES-GOSISDBHSA-N 1 3 347.503 2.743 50 0 EFAAHO COCC1([N@H+](C)Cc2cc(CN3CCN(C)CC3)c(C)cc2C)CC1 ZINC000215455483 241124938 /nfs/dbraw/zinc/12/49/38/241124938.db2.gz DWZBAMTZELIPII-UHFFFAOYSA-N 1 3 345.531 2.662 50 0 EFAAHO COCC1([N@@H+](C)Cc2cc(CN3CCN(C)CC3)c(C)cc2C)CC1 ZINC000215455483 241124943 /nfs/dbraw/zinc/12/49/43/241124943.db2.gz DWZBAMTZELIPII-UHFFFAOYSA-N 1 3 345.531 2.662 50 0 EFAAHO Cc1nc(CN2CCN(CC3CC[NH+](C(C)C)CC3)CC2)cs1 ZINC000215652699 241135771 /nfs/dbraw/zinc/13/57/71/241135771.db2.gz DYQMTFRPMUOEBI-UHFFFAOYSA-N 1 3 336.549 2.690 50 0 EFAAHO CC(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012373446 211359307 /nfs/dbraw/zinc/35/93/07/211359307.db2.gz CJQCJHAGRMBOSN-IBGZPJMESA-N 1 3 335.536 2.975 50 0 EFAAHO CC(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012373446 211359310 /nfs/dbraw/zinc/35/93/10/211359310.db2.gz CJQCJHAGRMBOSN-IBGZPJMESA-N 1 3 335.536 2.975 50 0 EFAAHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000011815534 211250301 /nfs/dbraw/zinc/25/03/01/211250301.db2.gz WMTZUJAHPJJWJY-UHFFFAOYSA-N 1 3 343.515 2.542 50 0 EFAAHO Cc1ccc2ncccc2c1C[N@@H+]1C[C@@H](CN(C)C)C[C@H](CO)C1 ZINC000091644003 218037714 /nfs/dbraw/zinc/03/77/14/218037714.db2.gz UFIHPRUZOPPRJF-SJORKVTESA-N 1 3 327.472 2.535 50 0 EFAAHO Cc1ccc2ncccc2c1C[N@H+]1C[C@@H](CN(C)C)C[C@H](CO)C1 ZINC000091644003 218037717 /nfs/dbraw/zinc/03/77/17/218037717.db2.gz UFIHPRUZOPPRJF-SJORKVTESA-N 1 3 327.472 2.535 50 0 EFAAHO Cc1ccc2ncccc2c1CN1C[C@@H](CO)C[C@H](C[NH+](C)C)C1 ZINC000091644003 218037718 /nfs/dbraw/zinc/03/77/18/218037718.db2.gz UFIHPRUZOPPRJF-SJORKVTESA-N 1 3 327.472 2.535 50 0 EFAAHO Cc1cccc(C[NH+]2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1 ZINC000091896106 218086163 /nfs/dbraw/zinc/08/61/63/218086163.db2.gz OIENQMVXBFOLDL-UHFFFAOYSA-N 1 3 343.515 2.761 50 0 EFAAHO Fc1cccc([C@@H]2CN(C3CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000095362348 218295768 /nfs/dbraw/zinc/29/57/68/218295768.db2.gz JLZJKQGDQWXLLI-PWIZWCRZSA-N 1 3 347.453 2.579 50 0 EFAAHO Fc1cccc([C@@H]2C[N@@H+](C3CCNCC3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000095362348 218295772 /nfs/dbraw/zinc/29/57/72/218295772.db2.gz JLZJKQGDQWXLLI-PWIZWCRZSA-N 1 3 347.453 2.579 50 0 EFAAHO Fc1cccc([C@@H]2C[N@H+](C3CCNCC3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000095362348 218295774 /nfs/dbraw/zinc/29/57/74/218295774.db2.gz JLZJKQGDQWXLLI-PWIZWCRZSA-N 1 3 347.453 2.579 50 0 EFAAHO [NH3+]C[C@@H]1CCCCN1Cc1ccccc1OCCN1CCCCC1 ZINC000215071020 303396168 /nfs/dbraw/zinc/39/61/68/303396168.db2.gz MKWVHMCDHBRIAW-IBGZPJMESA-N 1 3 331.504 2.865 50 0 EFAAHO c1nc2sc3c(c2c(NCCC24CCC[NH+]2CCC4)n1)CCNC3 ZINC000065421149 472938197 /nfs/dbraw/zinc/93/81/97/472938197.db2.gz BNRZYAHJZILGKO-UHFFFAOYSA-N 1 3 343.500 2.767 50 0 EFAAHO CN(C)Cc1cccc(CN(C)C(=O)NCC(C)(C)[NH+]2CCCC2)c1 ZINC000426442497 477710390 /nfs/dbraw/zinc/71/03/90/477710390.db2.gz GXELYMYBSQBBJX-UHFFFAOYSA-N 1 3 346.519 2.764 50 0 EFAAHO C[NH+](C)CC1(O)CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000585136432 479296394 /nfs/dbraw/zinc/29/63/94/479296394.db2.gz FTHQIUZGJRFTQP-UHFFFAOYSA-N 1 3 328.909 2.821 50 0 EFAAHO C[NH+](C)CCOc1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000215760626 535904090 /nfs/dbraw/zinc/90/40/90/535904090.db2.gz HQUPYNUGEVERPB-UHFFFAOYSA-N 1 3 328.460 2.730 50 0 EFAAHO COc1ccc(CN2CCC[N@H+](C)C[C@@H]2C)cc1CN1CCCC1 ZINC000216281251 545559445 /nfs/dbraw/zinc/55/94/45/545559445.db2.gz WJZTVUNWRSNRMV-KRWDZBQOSA-N 1 3 331.504 2.817 50 0 EFAAHO COc1ccc(CN2CCC[N@@H+](C)C[C@@H]2C)cc1CN1CCCC1 ZINC000216281251 545559447 /nfs/dbraw/zinc/55/94/47/545559447.db2.gz WJZTVUNWRSNRMV-KRWDZBQOSA-N 1 3 331.504 2.817 50 0 EFAAHO CN1CC[N@H+](C)CC12CCN(Cc1ccc([C@H]3CCCO3)s1)CC2 ZINC000247962296 1290744022 /nfs/dbraw/zinc/74/40/22/1290744022.db2.gz FMGVUHHHIWOTJG-QGZVFWFLSA-N 1 3 349.544 2.811 50 0 EFAAHO CN1CC[N@@H+](C)CC12CCN(Cc1ccc([C@H]3CCCO3)s1)CC2 ZINC000247962296 1290744028 /nfs/dbraw/zinc/74/40/28/1290744028.db2.gz FMGVUHHHIWOTJG-QGZVFWFLSA-N 1 3 349.544 2.811 50 0 EFAAHO Cc1ccc2[nH]c(CCN3CCN(c4cc[nH+]cc4C)CC3)nc2c1 ZINC001506406340 1405753792 /nfs/dbraw/zinc/75/37/92/1405753792.db2.gz HBHNWYKCDXIOAI-UHFFFAOYSA-N 1 3 335.455 2.939 50 0 EFAAHO Cc1ccc2nc(CCN3CCN(c4cc[nH+]cc4C)CC3)[nH]c2c1 ZINC001506406340 1405753798 /nfs/dbraw/zinc/75/37/98/1405753798.db2.gz HBHNWYKCDXIOAI-UHFFFAOYSA-N 1 3 335.455 2.939 50 0 EFAAHO N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072164668 216053510 /nfs/dbraw/zinc/05/35/10/216053510.db2.gz ZKVXLFNMUHHWBS-SFTDATJTSA-N 1 3 349.478 2.583 50 0 EFAAHO C[NH+](C)C[C@@]1(O)CCCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000072165848 216055386 /nfs/dbraw/zinc/05/53/86/216055386.db2.gz RSLHXHSTTCUXQG-MRXNPFEDSA-N 1 3 346.393 2.864 50 0 EFAAHO O[C@@]1(C[NH2+]CCc2ccccc2Oc2ccccc2)CCCNC1 ZINC000072432834 216227172 /nfs/dbraw/zinc/22/71/72/216227172.db2.gz AUMQATMZBXYENX-FQEVSTJZSA-N 1 3 326.440 2.726 50 0 EFAAHO CCCN1CC2(C[C@H]1C(=O)NCc1ccc(C)s1)CC[NH+](C)CC2 ZINC000072436118 216230997 /nfs/dbraw/zinc/23/09/97/216230997.db2.gz INBKBNKIEMLWMT-KRWDZBQOSA-N 1 3 349.544 2.869 50 0 EFAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1cccc(C)c1)CC[NH+](C)CC2 ZINC000072473101 216250834 /nfs/dbraw/zinc/25/08/34/216250834.db2.gz NZHIWJIAUQIDIA-LJQANCHMSA-N 1 3 343.515 2.808 50 0 EFAAHO [NH3+][C@H]1C[C@@H](c2cc(N[C@H]3CCCN(Cc4ccccc4)C3)ncn2)C1 ZINC000244595047 243040497 /nfs/dbraw/zinc/04/04/97/243040497.db2.gz DNRNWXYIUZXVBK-KSZLIROESA-N 1 3 337.471 2.758 50 0 EFAAHO CN1CCCCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000244873466 243090147 /nfs/dbraw/zinc/09/01/47/243090147.db2.gz WQWIGBJYPYYLBY-HXUWFJFHSA-N 1 3 343.515 2.684 50 0 EFAAHO CCN1CCC[C@](C)(C[NH+]2CCC(N3CCSCC3)CC2)C1 ZINC000020774497 212169828 /nfs/dbraw/zinc/16/98/28/212169828.db2.gz UVPZAGKPHUWUBL-SFHVURJKSA-N 1 3 325.566 2.622 50 0 EFAAHO Cn1cc(C[N@@H+]2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)cn1 ZINC000020166471 212108768 /nfs/dbraw/zinc/10/87/68/212108768.db2.gz YMMMZWYEPQOUOK-HXUWFJFHSA-N 1 3 339.487 2.549 50 0 EFAAHO Cn1cc(C[N@H+]2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)cn1 ZINC000020166471 212108770 /nfs/dbraw/zinc/10/87/70/212108770.db2.gz YMMMZWYEPQOUOK-HXUWFJFHSA-N 1 3 339.487 2.549 50 0 EFAAHO CN1CCC[C@@]2(CCC[N@H+](CCc3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000019219586 212005634 /nfs/dbraw/zinc/00/56/34/212005634.db2.gz XVNUFHUPJFLQFY-HXUWFJFHSA-N 1 3 339.487 2.822 50 0 EFAAHO CN1CCC[C@@]2(CCC[N@@H+](CCc3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000019219586 212005636 /nfs/dbraw/zinc/00/56/36/212005636.db2.gz XVNUFHUPJFLQFY-HXUWFJFHSA-N 1 3 339.487 2.822 50 0 EFAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCOCCO)CC2)C1 ZINC000091460881 218009632 /nfs/dbraw/zinc/00/96/32/218009632.db2.gz KMBLDGOUOSCRSG-FQEVSTJZSA-N 1 3 346.515 2.587 50 0 EFAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCOCCO)CC2)C1 ZINC000091460881 218009634 /nfs/dbraw/zinc/00/96/34/218009634.db2.gz KMBLDGOUOSCRSG-FQEVSTJZSA-N 1 3 346.515 2.587 50 0 EFAAHO Cc1nc(N)cc(NCC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000091690004 218046540 /nfs/dbraw/zinc/04/65/40/218046540.db2.gz OYSYJZGTHYFEGG-UHFFFAOYSA-N 1 3 325.460 2.734 50 0 EFAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(CCC(=O)NC)CC2)C1 ZINC000092077026 218116097 /nfs/dbraw/zinc/11/60/97/218116097.db2.gz BPNKZWNKOSJHSP-LJQANCHMSA-N 1 3 343.515 2.714 50 0 EFAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(CCC(=O)NC)CC2)C1 ZINC000092077026 218116099 /nfs/dbraw/zinc/11/60/99/218116099.db2.gz BPNKZWNKOSJHSP-LJQANCHMSA-N 1 3 343.515 2.714 50 0 EFAAHO c1cc(C[NH+]2CCCC2)sc1CN1CCN(C2CCOCC2)CC1 ZINC000097413219 219022830 /nfs/dbraw/zinc/02/28/30/219022830.db2.gz KAFZKAMNZZSYCZ-UHFFFAOYSA-N 1 3 349.544 2.641 50 0 EFAAHO CCN(CCN(C)C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299758377 258076396 /nfs/dbraw/zinc/07/63/96/258076396.db2.gz MFRPKOTYHZEGAL-OTWHNJEPSA-N 1 3 329.488 2.622 50 0 EFAAHO CCN(CCN(C)C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299758377 258076397 /nfs/dbraw/zinc/07/63/97/258076397.db2.gz MFRPKOTYHZEGAL-OTWHNJEPSA-N 1 3 329.488 2.622 50 0 EFAAHO Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CCCN(C)C)C2)cc1C ZINC000012702067 471790826 /nfs/dbraw/zinc/79/08/26/471790826.db2.gz IKYJZKGZHFYMTM-LJQANCHMSA-N 1 3 331.504 2.792 50 0 EFAAHO Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CCCN(C)C)C2)cc1C ZINC000012702067 471790831 /nfs/dbraw/zinc/79/08/31/471790831.db2.gz IKYJZKGZHFYMTM-LJQANCHMSA-N 1 3 331.504 2.792 50 0 EFAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cnn(C)c3C)CC2)o1 ZINC000015073457 471888606 /nfs/dbraw/zinc/88/86/06/471888606.db2.gz HYCKBMQBWQBHNB-UHFFFAOYSA-N 1 3 330.476 2.974 50 0 EFAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3cnn(C)c3C)CC2)o1 ZINC000015073457 471888608 /nfs/dbraw/zinc/88/86/08/471888608.db2.gz HYCKBMQBWQBHNB-UHFFFAOYSA-N 1 3 330.476 2.974 50 0 EFAAHO O[C@@]1(CN2CCCCC2)CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000077437250 472526384 /nfs/dbraw/zinc/52/63/84/472526384.db2.gz FFYFQPXZHLHJKQ-HXUWFJFHSA-N 1 3 325.456 2.658 50 0 EFAAHO O[C@@]1(CN2CCCCC2)CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000077437250 472526391 /nfs/dbraw/zinc/52/63/91/472526391.db2.gz FFYFQPXZHLHJKQ-HXUWFJFHSA-N 1 3 325.456 2.658 50 0 EFAAHO C[N@@H+]1CCN2CCN(CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000248091204 474259823 /nfs/dbraw/zinc/25/98/23/474259823.db2.gz VJGQEVQPAUCVFP-OAQYLSRUSA-N 1 3 335.495 2.750 50 0 EFAAHO C[N@H+]1CCN2CCN(CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000248091204 474259827 /nfs/dbraw/zinc/25/98/27/474259827.db2.gz VJGQEVQPAUCVFP-OAQYLSRUSA-N 1 3 335.495 2.750 50 0 EFAAHO O=C(NCCN1CCCCC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299783984 476153849 /nfs/dbraw/zinc/15/38/49/476153849.db2.gz KTCWLYVMHKRUAZ-ZCNNSNEGSA-N 1 3 341.499 2.814 50 0 EFAAHO O=C(NCCN1CCCCC1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299783984 476153863 /nfs/dbraw/zinc/15/38/63/476153863.db2.gz KTCWLYVMHKRUAZ-ZCNNSNEGSA-N 1 3 341.499 2.814 50 0 EFAAHO CC[C@@H](C)Sc1ncc(CNCCNc2cc[nH+]cc2C)cn1 ZINC000952972430 1284943600 /nfs/dbraw/zinc/94/36/00/1284943600.db2.gz OTXMACCLRUQCPY-CQSZACIVSA-N 1 3 331.489 2.694 50 0 EFAAHO